Results for:
Species: Serratia spp. B675

Signature

Acetic Acid

Mass-Spectra

Compound Details

Synonymous names

Methanecarboxylate

Methanecarboxylic acid

aceticacid

Carboxymethyl Group

Essigsaeure

Somatorelin acetate

Acetasol

Azijnzuur

Ethylate

Pyroligneous acid

QTBSBXVTEAMEQO-UHFFFAOYSA-N

Somatrel

Glacial acetate

Kyselina octova

MeCOOH

Shotgun

Vinegar

Volsol

acetyl alcohol

Acide acetique

Acido acetico

AcOH

ethanoic acid

Glacial Acetic

HOAc

methane carboxylic acid

Orlex

Otic Domeboro

Vosol

acetic acid

acetic-acid

ACY

CH3COOH

Ethanoic acid monomer

ethoic acid

Ethylic acid

Ghrh acetate

Grf sumitomo

Octowy kwas

Undiluted Acetic Acid

Vinegar acid

Acetic acid glacial

Acetic Acid Natural

Glacial acetic acid

MeCO2H

AC1Q2BPJ

Aci-jel

10.Methanecarboxylic acid

Acetic acid, analytical standard

Acetic acid, Environmental Grade

CH3CO2H

acetic -acid

acetic acid-

CH3-COOH

CHEMBL539

Sodium acetate, anhydrous or trihydrate

AC1L18NC

Acetic acid, aqueous solution

Acetic acid, diluted

Acetic acid, Environmental Grade Plus

Acetic acid, glacial

Acetic acid, propionic acid distillate

Acetic acid, water solutions

Bifido Selective Supplement B, for microbiology

Essigsaeure [German]

Acetic acid, purified by double-distillation

Azijnzuur [Dutch]

Glacial acetic acid, meets USP testing specifications

Acetic acid, ACS reagent

E260

GTPL1058

HSDB 40

KSC491S8N

METHYL, CARBOXY-

Nat. Acetic Acid

Somatorelin acetate [JAN]

UNII-N4G9GAT76C component QTBSBXVTEAMEQO-UHFFFAOYSA-N

Acetasol (TN)

Acetic Acid (Recovered)

Acetic Acid, Glacial Reagent ACS

Acide acetique [French]

Acido acetico [Italian]

ACMC-1B1E4

Kyselina octova [Czech]

PubChem22173

UN2789

UN2790

Acetic acid (natural)

Acetic acid solution, for HPLC

C2:0

CTK3J1986

HMDB00042

Octowy kwas [Polish]

WLN: QV1

Y1308

Glacial Acetic Acid, pharmaceutical secondary standard; traceable to USP

RL04447

Somatorelin acetate [WHO-DD]

Vinegar (Salt/Mix)

Acetic acid [JAN]

ACETIC ACID, GLACIAL, ACS

bmse000191

bmse000817

bmse000857

C00033

CCRIS 5952

D00010

E 260

E-260

Q40Q9N063P

UNII-XY920R6F5N

Acetic acid, Glacial, ACS Reagent

BC253535

DTXSID5024394

FEMA Number 2006

IN012302

LS-1541

LS-2535

NSC132953

NSC406306

OR034264

OR034746

Otic Domeboro (Salt/Mix)

STL264240

UN 2789

A834671

Carboxylic acids, C2-3

CHEBI:15366

DSSTox_CID_4394

UNII-Q40Q9N063P

ZINC5224164

Acetic acid, 0.1N Standardized Solution

Acetic acid, 1.0N Standardized Solution

AN-41867

ANW-41557

ANW-44008

DSSTox_GSID_24394

KB-47052

MO 08470

Acetic acid, glacial (USP)

BDBM50074329

Caswell No. 003

DSSTox_RID_77386

Glacial acetic acid, United States Pharmacopeia (USP) Reference Standard

LMFA01010002

MFCD00036152

AI3-02394

Glacial acetic acid (JP17)

NCIOpen2_000659

NCIOpen2_000682

NSC 132953

NSC-132953

NSC-406306

RTR-021046

TR-021046

TR-021753

Acetic acid 0.25% in plastic container

Acetic acid, >=99.7%

Acetic acid, 1% v/v aqueous solution

Acetic acid, 4% v/v aqueous solution

Acetic acid, glacial [USAN:JAN]

AKOS000268789

EPA Pesticide Chemical Code 044001

I04-9818

INS No. 260

Acetic acid (JP17/NF)

Acetic acid, Acculute Standard Volumetric Solution, Final Concentration 1.0N

BRN 0506007

FEMA No. 2006

FT-0613051

FT-0619087

FT-0621735

FT-0638674

FT-0659639

TCLP extraction fluid 2 (Salt/Mix)

TRA-0196378

64-19-7

I14-60089

Somatoliberin (human pancreatic islet), acetate (salt)

Acetic acid, puriss., >=80%

Tox21_301453

Acetic acid, 99.8%, anhydrous

Acetic acid, ReagentPlus(R), >=99%

CAS-64-19-7

Acetic acid, >=99.99% trace metals basis

Acetic acid, glacial, >=99.85%

MCULE-8295936189

NCGC00255303-01

Acetic acid, ACS reagent, >=99.7%

Acetic acid, AR, >=99.8%

Acetic acid, LR, >=99.5%

Acetic acid, UV HPLC spectroscopic, 99.9%

EINECS 200-580-7

68475-71-8

77671-22-8

Acetic acid, for HPLC, >=99.8%

Acetic acid, JIS special grade, >=99.7%

Acetic acid, Vetec(TM) reagent grade, >=99%

UN 2790 (Salt/Mix)

612-EP0930075A1

612-EP1441224A2

612-EP2269610A2

612-EP2269977A2

612-EP2269978A2

612-EP2269985A2

612-EP2269986A1

612-EP2269988A2

612-EP2269989A1

612-EP2269990A1

612-EP2269991A2

612-EP2269992A1

612-EP2269993A1

612-EP2269994A1

612-EP2269998A2

612-EP2270001A1

612-EP2270002A1

612-EP2270006A1

612-EP2270008A1

612-EP2270010A1

612-EP2270011A1

612-EP2270012A1

612-EP2270013A1

612-EP2270014A1

612-EP2270015A1

612-EP2270016A1

612-EP2270018A1

612-EP2270113A1

612-EP2270505A1

612-EP2272509A1

612-EP2272516A2

612-EP2272517A1

612-EP2272537A2

612-EP2272813A2

612-EP2272817A1

612-EP2272822A1

612-EP2272825A2

612-EP2272827A1

612-EP2272831A1

612-EP2272832A1

612-EP2272834A1

612-EP2272835A1

612-EP2272841A1

612-EP2272842A1

612-EP2272847A1

612-EP2272848A1

612-EP2272849A1

612-EP2272935A1

612-EP2272972A1

612-EP2272973A1

612-EP2274983A1

612-EP2275102A1

612-EP2275105A1

612-EP2275401A1

612-EP2275403A1

612-EP2275404A1

612-EP2275407A1

612-EP2275409A1

612-EP2275410A1

612-EP2275411A2

612-EP2275412A1

612-EP2275413A1

612-EP2275414A1

612-EP2275417A2

612-EP2275420A1

612-EP2275421A1

612-EP2275469A1

612-EP2277507A1

612-EP2277622A1

612-EP2277848A1

612-EP2277858A1

612-EP2277861A1

612-EP2277862A2

612-EP2277864A1

612-EP2277866A1

612-EP2277867A2

612-EP2277871A1

612-EP2277872A1

612-EP2277874A1

612-EP2277875A2

612-EP2277877A1

612-EP2277878A1

612-EP2277880A1

612-EP2277881A1

612-EP2279750A1

612-EP2280000A1

612-EP2280001A1

612-EP2280003A2

612-EP2280004A1

612-EP2280006A1

612-EP2280008A2

612-EP2280009A1

612-EP2280010A2

612-EP2280012A2

612-EP2280013A1

612-EP2280020A1

612-EP2280021A1

612-EP2281563A1

612-EP2281813A1

612-EP2281815A1

612-EP2281817A1

612-EP2281818A1

612-EP2281819A1

612-EP2281820A2

612-EP2281821A1

612-EP2281823A2

612-EP2281824A1

612-EP2284146A2

612-EP2284147A2

612-EP2284149A1

612-EP2284150A2

612-EP2284151A2

612-EP2284152A2

612-EP2284153A2

612-EP2284155A2

612-EP2284156A2

612-EP2284157A1

612-EP2284159A1

612-EP2284160A1

612-EP2284161A1

612-EP2284162A2

612-EP2284163A2

612-EP2284164A2

612-EP2284167A2

612-EP2284168A2

612-EP2284169A1

612-EP2284170A1

612-EP2284174A1

612-EP2284178A2

612-EP2284179A2

612-EP2284920A1

612-EP2286795A1

612-EP2286811A1

612-EP2287140A2

612-EP2287147A2

612-EP2287148A2

612-EP2287150A2

612-EP2287152A2

612-EP2287153A1

612-EP2287155A1

612-EP2287156A1

612-EP2287160A1

612-EP2287161A1

612-EP2287162A1

612-EP2287163A1

612-EP2287165A2

612-EP2287166A2

612-EP2287167A1

612-EP2287940A1

612-EP2289509A2

612-EP2289510A1

612-EP2289518A1

612-EP2289868A1

612-EP2289876A1

612-EP2289879A1

612-EP2289883A1

612-EP2289885A1

612-EP2289890A1

612-EP2289892A1

612-EP2289893A1

612-EP2289894A2

612-EP2289897A1

612-EP2289965A1

612-EP2292088A1

612-EP2292227A2

612-EP2292228A1

612-EP2292231A1

612-EP2292233A2

612-EP2292234A1

612-EP2292576A2

612-EP2292586A2

612-EP2292589A1

612-EP2292590A2

612-EP2292592A1

612-EP2292593A2

612-EP2292595A1

612-EP2292596A2

612-EP2292597A1

612-EP2292599A1

612-EP2292602A1

612-EP2292603A1

612-EP2292604A2

612-EP2292606A1

612-EP2292610A1

612-EP2292611A1

612-EP2292615A1

612-EP2292617A1

612-EP2292619A1

612-EP2292620A2

612-EP2292621A1

612-EP2292622A1

612-EP2292628A2

612-EP2295053A1

612-EP2295055A2

612-EP2295401A2

612-EP2295402A2

612-EP2295406A1

612-EP2295409A1

612-EP2295411A1

612-EP2295412A1

612-EP2295413A1

612-EP2295414A1

612-EP2295415A1

612-EP2295416A2

612-EP2295417A1

612-EP2295418A1

612-EP2295419A2

612-EP2295421A1

612-EP2295423A1

612-EP2295425A1

612-EP2295426A1

612-EP2295427A1

612-EP2295430A2

612-EP2295431A2

612-EP2295432A1

612-EP2295433A2

612-EP2295434A2

612-EP2295437A1

612-EP2295438A1

612-EP2295439A1

612-EP2295441A2

612-EP2295503A1

612-EP2298312A1

612-EP2298729A1

612-EP2298731A1

612-EP2298734A2

612-EP2298735A1

612-EP2298742A1

612-EP2298743A1

612-EP2298744A2

612-EP2298745A1

612-EP2298746A1

612-EP2298747A1

612-EP2298748A2

612-EP2298750A1

612-EP2298754A1

612-EP2298755A1

612-EP2298756A1

612-EP2298757A2

612-EP2298758A1

612-EP2298759A1

612-EP2298761A1

612-EP2298763A1

612-EP2298766A1

612-EP2298767A1

612-EP2298768A1

612-EP2298770A1

612-EP2298771A2

612-EP2298772A1

612-EP2298775A1

612-EP2298776A1

612-EP2298777A2

612-EP2298778A1

612-EP2298779A1

612-EP2298780A1

612-EP2298828A1

612-EP2301533A1

612-EP2301534A1

612-EP2301536A1

612-EP2301538A1

612-EP2301544A1

612-EP2301912A2

612-EP2301916A2

612-EP2301918A1

612-EP2301922A1

612-EP2301923A1

612-EP2301928A1

612-EP2301929A1

612-EP2301931A1

612-EP2301933A1

612-EP2301934A1

612-EP2301935A1

612-EP2301937A1

612-EP2301938A1

612-EP2301939A1

612-EP2301940A1

612-EP2301983A1

612-EP2302382A2

612-EP2302383A2

612-EP2305219A1

612-EP2305248A1

612-EP2305250A1

612-EP2305254A1

612-EP2305257A1

612-EP2305260A1

612-EP2305627A1

612-EP2305633A1

612-EP2305636A1

612-EP2305637A2

612-EP2305640A2

612-EP2305641A1

612-EP2305643A1

612-EP2305646A1

612-EP2305647A1

612-EP2305648A1

612-EP2305649A1

612-EP2305650A1

612-EP2305651A1

612-EP2305652A2

612-EP2305653A1

612-EP2305654A1

612-EP2305655A2

612-EP2305657A2

612-EP2305659A1

612-EP2305660A1

612-EP2305662A1

612-EP2305663A1

612-EP2305664A1

612-EP2305666A1

612-EP2305667A2

612-EP2305668A1

612-EP2305670A1

612-EP2305671A1

612-EP2305672A1

612-EP2305673A1

612-EP2305674A1

612-EP2305675A1

612-EP2305676A1

612-EP2305678A1

612-EP2305679A1

612-EP2305681A1

612-EP2305682A1

612-EP2305683A1

612-EP2305684A1

612-EP2305687A1

612-EP2305689A1

612-EP2305695A2

612-EP2305696A2

612-EP2305697A2

612-EP2305698A2

612-EP2305769A2

612-EP2305808A1

612-EP2305825A1

612-EP2308479A2

612-EP2308492A1

612-EP2308510A1

612-EP2308562A2

612-EP2308812A2

612-EP2308828A2

612-EP2308831A1

612-EP2308833A2

612-EP2308838A1

612-EP2308839A1

612-EP2308841A2

612-EP2308842A1

612-EP2308847A1

612-EP2308848A1

612-EP2308849A1

612-EP2308850A1

612-EP2308851A1

612-EP2308854A1

612-EP2308855A1

612-EP2308857A1

612-EP2308858A1

612-EP2308861A1

612-EP2308864A1

612-EP2308865A1

612-EP2308867A2

612-EP2308869A1

612-EP2308870A2

612-EP2308872A1

612-EP2308873A1

612-EP2308874A1

612-EP2308875A1

612-EP2308877A1

612-EP2308879A1

612-EP2308880A1

612-EP2308882A1

612-EP2308883A1

612-EP2308960A1

612-EP2309584A1

612-EP2311451A1

612-EP2311453A1

612-EP2311455A1

612-EP2311494A1

612-EP2311796A1

612-EP2311797A1

612-EP2311798A1

612-EP2311799A1

612-EP2311801A1

612-EP2311802A1

612-EP2311803A1

612-EP2311805A1

612-EP2311806A2

612-EP2311807A1

612-EP2311808A1

612-EP2311809A1

612-EP2311810A1

612-EP2311811A1

612-EP2311814A1

612-EP2311816A1

612-EP2311817A1

612-EP2311818A1

612-EP2311820A1

612-EP2311821A1

612-EP2311822A1

612-EP2311823A1

612-EP2311824A1

612-EP2311825A1

612-EP2311826A2

612-EP2311827A1

612-EP2311829A1

612-EP2311830A1

612-EP2311831A1

612-EP2311834A1

612-EP2311835A1

612-EP2311837A1

612-EP2311838A1

612-EP2311839A1

612-EP2311840A1

612-EP2311842A2

612-EP2311850A1

612-EP2314295A1

612-EP2314571A2

612-EP2314574A1

612-EP2314575A1

612-EP2314576A1

612-EP2314577A1

612-EP2314578A1

612-EP2314579A1

612-EP2314581A1

612-EP2314582A1

612-EP2314583A1

612-EP2314585A1

612-EP2314586A1

612-EP2314587A1

612-EP2314588A1

612-EP2314589A1

612-EP2314590A1

612-EP2314593A1

612-EP2315303A1

612-EP2316450A1

612-EP2316452A1

612-EP2316457A1

612-EP2316458A1

612-EP2316459A1

612-EP2316824A1

612-EP2316825A1

612-EP2316826A1

612-EP2316827A1

612-EP2316828A1

612-EP2316829A1

612-EP2316831A1

612-EP2316834A1

612-EP2316835A1

612-EP2316836A1

612-EP2316837A1

612-EP2316905A1

612-EP2316906A2

612-EP2316937A1

612-EP2371797A1

612-EP2371798A1

612-EP2371799A1

612-EP2371800A1

612-EP2371802A1

612-EP2371803A1

612-EP2371804A1

612-EP2371810A1

612-EP2371811A2

612-EP2371814A1

612-EP2372017A1

612-EP2374454A1

612-EP2374526A1

612-EP2374538A1

612-EP2374786A1

612-EP2374895A1

612-EP2377510A1

612-EP2377842A1

612-EP2377843A1

612-EP2380568A1

612-EP2380661A2

612-EP2380867A1

612-EP2380874A2

Acetic acid, SAJ first grade, >=99.0%

SR-01000944354

834904-91-5

Acetic acid solution, 1 M, 1 N

Acetic acid, >=99.7%, SAJ super special grade

Acetic acid, >=99.7%, suitable for amino acid analysis

8426-EP2269978A2

8426-EP2269985A2

8426-EP2269991A2

8426-EP2270001A1

8426-EP2270006A1

8426-EP2272509A1

8426-EP2272825A2

8426-EP2272848A1

8426-EP2275102A1

8426-EP2275105A1

8426-EP2275403A1

8426-EP2275413A1

8426-EP2275421A1

8426-EP2277848A1

8426-EP2277867A2

8426-EP2277874A1

8426-EP2280003A2

8426-EP2280008A2

8426-EP2281819A1

8426-EP2284150A2

8426-EP2284151A2

8426-EP2284152A2

8426-EP2284153A2

8426-EP2284155A2

8426-EP2284156A2

8426-EP2284157A1

8426-EP2284164A2

8426-EP2286811A1

8426-EP2286812A1

8426-EP2287140A2

8426-EP2287148A2

8426-EP2287150A2

8426-EP2287156A1

8426-EP2289893A1

8426-EP2292589A1

8426-EP2292593A2

8426-EP2292603A1

8426-EP2292604A2

8426-EP2295409A1

8426-EP2295410A1

8426-EP2295412A1

8426-EP2295413A1

8426-EP2295419A2

8426-EP2295428A2

8426-EP2295432A1

8426-EP2295433A2

8426-EP2295437A1

8426-EP2295503A1

8426-EP2298312A1

8426-EP2298743A1

8426-EP2298762A2

8426-EP2298770A1

8426-EP2298775A1

8426-EP2298776A1

8426-EP2298780A1

8426-EP2298783A1

8426-EP2301928A1

8426-EP2301930A1

8426-EP2301933A1

8426-EP2301940A1

8426-EP2305250A1

8426-EP2305637A2

8426-EP2305640A2

8426-EP2305660A1

8426-EP2305682A1

8426-EP2305689A1

8426-EP2305695A2

8426-EP2305696A2

8426-EP2305697A2

8426-EP2305698A2

8426-EP2308840A1

8426-EP2308841A2

8426-EP2308861A1

8426-EP2308867A2

8426-EP2308870A2

8426-EP2308879A1

8426-EP2311806A2

8426-EP2311807A1

8426-EP2311808A1

8426-EP2311818A1

8426-EP2311826A2

8426-EP2311829A1

8426-EP2311831A1

8426-EP2311840A1

8426-EP2311842A2

8426-EP2314295A1

8426-EP2314576A1

8426-EP2314586A1

8426-EP2316824A1

8426-EP2316831A1

8426-EP2316834A1

Acetic acid, natural, >=99.5%, FG

MolPort-000-871-575

12812-EP2295402A2

12812-EP2316470A2

12812-EP2316831A1

Acetic acid, >=99.5%, FCC, FG

Acetic acid, >=99.7%, for titration in non-aqueous medium

Acetic acid, puriss., 99-100%

SR-01000944354-1

Acetic acid, glacial or acetic acid solution, >80% acid, by mass

Acetic acid, 99.5-100.0%

Acetic acid, semiconductor grade MOS PURANAL(TM) (Honeywell 17926)

Acetic acid, Environmental, 99.0% min. 500ml

4-02-00-00094 (Beilstein Handbook Reference)

Acetic acid, for luminescence, BioUltra, >=99.5% (GC/T)

Acetic acid, glacial, PharmaGrade, USP, JP, Ph Eur, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production.

Acetic acid, USP, 99.5-100.5%

Acetic acid solution, SAJ first grade, 27.0-33.0%

Acetic acid solution, not less than 50% but more than 80% acid, by mass

Acetic acid solution, with more than 10% and less than 50% acid, by mass

Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid

Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]

InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4

Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]

Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]

ACETIC ACID-1-13C, D4, 99 ATOM % 13C, 98 ATOM % D

Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]

Acetic acid, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.8%

Acetic acid, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8%

Acetic acid, puriss., meets analytical specification of Ph. Eur., BP, USP, FCC, 99.8-100.5%

IUPAC name

acetic acid

SMILES

CC(=O)O

Inchi

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

Formula

CH₃COOH

PubChem ID

176

Molweight

60.052

LogP

-0.22

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acid

mVOC Specific Details

Volatilization

The Henry's Law constant for acetic acid has been experimentally determined to be 1.43X10-7 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that acetic acid is expected to be essentially nonvolatile from water surfaces(2). Acetic acid's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to be an important fate process(SRC). Acetic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 15.7 mm Hg at 25 deg C(3).
Literature: (1) Johnson BJ et al; J Atmos Chem 24: 113-119 (1996) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp (1989)

Soil Adsorption

A log Koc of 0.00 (Koc = 1), which was derived from experimental measurements, has been reported for acetic acid(1,2). According to a classification scheme(3), this Koc value suggests that acetic acid is expected to have very high mobility in soil. No detectable sorption was measured for acetic acid using the OECD Guideline 106 method employing an acidic forest soil, pH 2.8, an agricultural soil, pH 6.7, and a lake sediment, pH 7.1(4). Adsorption of acetic acid to 3 nearshore marine sediments collected from three different locations resulted in Kd values of 0.65 (Koc = 228), 0.085 (Koc = 6.5) and 0.046 (Koc = 27) using clastic mud (3.5% organic carbon, pH 7.0), muddy sand (1.3% organic carbon, pH 7.7), and carbonate sand (0.17% organic carbon, pH 8.1), respectively(5). The pKa of acetic acid is 4.76(6), indicating that this compound will exist partially in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(7).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supplemental material) (2006) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (5) Sansone JF et al; Geochimica et Cosmochimica Acta 51: 1889-1896 (1987) (6) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. New York, NY: Pergamon Press, p. 989 (1979) (7) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Literature: #In 24 hr aqueous adsorption studies using montmorillonite and kaolinite clay adsorbents, 2.4-30.4% of added acetic acid was observed to be in the adsorbed phase(1). In adsorption studies using the adsorbent hydroxyapatite (a mineral which occurs in the environment as a result of the diagenesis of skeletal apatite), only 5% of added acetic acid (in aqueous solution, pH 8.0) became adsorbed to the hydroxyapatite(2). Acetic acid has been noted to leach from biological disposal areas(3).
Literature: (1) Hemphill L, Swanson WS; Proc of the 18th Industrial Waste Conf, Eng Bull Purdue Univ, Lafayette IN 18: 204-17 (1964) (2) Gordon AS, Millero FJ; Microb Ecol 11: 289-98 (1985) (3) Abrams EF et al; Identification of Organic Compounds in Effluents from Industrial Sources. USEPA-560/3-75-002 p. 3 (1975)

Vapor Pressure

Pressure	Reference
15.7 mm Hg at 25 deg C /Extrapolated/	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 2640 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative

MS-MS Spectrum 2637 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 2638 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 179743

MS-MS Spectrum 182077

MS-MS Spectrum 182078

MS-MS Spectrum 71 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179744

MS-MS Spectrum 70 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2636 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 179742

MS-MS Spectrum 69 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 182076

MS-MS Spectrum 2635 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 2639 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

1D-NMR-Links

1D NMR Spectrum 2560 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 3258 - Varian 25.16 MHz 13C NMR

1D NMR Spectrum 4746

1D NMR Spectrum 1048 - Varian 500 MHz 1H NMR

1D NMR Spectrum 1126 - Bruker 400 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Acinetobacter Baumanii		clinical exudates	Julak et al. 2003
Bacteria	Actinobacillus Actinomycetemcomitans Y4	n/a		Kurita-Ochiai et al., 1995
Bacteria	Actinomyces Europaeus		clinical exudates	Julak et al. 2003
Bacteria	Actinomyces Naeslundii		clinical exudates	Julak et al. 2003
Bacteria	Arthrobacter Agilis UMCV2	na	rhizosphere of maize plants	VelÃ¡zquez-Becerra et al.,2011
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Bacillus Spp.	Highly attractive to Mexican fruit flies.		Schulz and Dickschat, 2007
Bacteria	Bacteroides Bivius	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Capillosus		clinical exudates	Julak et al. 2003
Bacteria	Bacteroides Distasonis	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Fragilis	Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.		Hinton and Hume, 1995
Bacteria	Bacteroides Ovatus	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Pyogenes		clinical exudates	Julak et al. 2003
Bacteria	Bacteroides Thetaiotamicron	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Vulgatus	n/a		Wiggins et al., 1985
Bacteria	Burkholderia Tropica MTo431	n/a		Tenorio-Salgado et al., 2013
Bacteria	Capnocytophaga Ochracea ATCC 33596	n/a		Kurita-Ochiai et al., 1995
Bacteria	Clostridium Bifermentans	n/a		Wiggins et al., 1985
Bacteria	Clostridium Butyricum	n/a		Wiggins et al., 1985
Bacteria	Clostridium Cadaverum	n/a		Wiggins et al., 1985
Bacteria	Clostridium Difficile		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Fallax	n/a		Wiggins et al., 1985
Bacteria	Clostridium Histolyticum	n/a		Wiggins et al., 1985
Bacteria	Clostridium Perfringens		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Ramosum		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Septicum		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Clostridium Sporogenes	n/a		Wiggins et al., 1985
Bacteria	Clostridium Tertium	n/a		Wiggins et al., 1985
Bacteria	Enterococcus Faecalis		clinical exudates	Julak et al. 2003
Bacteria	Escherichia Coli	n/a		Bunge et al., 2008
Bacteria	Eubacterium Lentum		clinical exudates	Julak et al. 2003
Bacteria	Fusobacterium Necrophorum		clinical exudates	Julak et al. 2003
Bacteria	Fusobacterium Nucleatum ATCC 23726	n/a		Kurita-Ochiai et al., 1995
Bacteria	Fusobacterium Nucleatum ATCC 33568	n/a		Kurita-Ochiai et al., 1995
Bacteria	Fusobacterium Simiae		clinical exudates	Julak et al. 2003
Bacteria	Haemophilus Influenzae		clinic	Preti., 2009
Bacteria	Klebsiella Pneumoniae	n/a		Julak et al., 2003
Bacteria	Lactobacillus Acidophilus		clinical exudates	Julak et al. 2003
Bacteria	Lactobacillus Casei NCIB 8010	n/a		Tracey and Britz, 1989
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a		Tracey and Britz, 1989
Bacteria	Lactobacillus Rhamnosus CIRM1436	na	Domiati cheese	PogaÄiÄ‡ et al., 2016
Bacteria	Lactococcus Lactis DSM 20202	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Cremoris DSM 20346	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 19	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 30	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 36	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 37D	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 7B	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos B66	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20252	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20255	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20257	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos Lc5x	n/a		Tracey and Britz, 1989
Bacteria	Nocardia Sp.		clinical exudates	Julak et al. 2003
Bacteria	Pediococcus Damnosus DSM 20331	n/a		Tracey and Britz, 1989
Bacteria	Peptostreptococcus Anaerobicus		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Asaccharolyticus		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Prevotii		clinical exudates	Julak et al. 2003
Bacteria	Porphyromonas Gingivalis FDC381	n/a		Kurita-Ochiai et al., 1995
Bacteria	Porphyromonas Gingivalis W83	n/a		Kurita-Ochiai et al., 1995
Bacteria	Prevotella Intermedia ATCC 25261	n/a		Kurita-Ochiai et al., 1995
Bacteria	Prevotella Loescheii ATCC 15930	n/a		Kurita-Ochiai et al., 1995
Bacteria	Propionibacterium Acnes		clinical exudates	Julak et al. 2003
Bacteria	Propionibacterium Propionicum		clinical exudates	Julak et al. 2003
Bacteria	Proteus Mirabilis		clinical exudates	Julak et al. 2003
Bacteria	Pseudomonas Brassicacearum USB2104	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Simiae AU	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al., 2016
Bacteria	Salmonella Enterica	n/a		Bunge et al., 2008
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Shigella Flexneri	n/a		Bunge et al., 2008
Bacteria	Staphylococcus Aureus	n/a		Julak et al., 2003
Bacteria	Staphylococcus Epidermidis		clinical exudates	Julak et al. 2003
Bacteria	Staphylococcus Sp.	Highly attractive to Mexican fruit flies.		Schulz and Dickschat, 2007
Bacteria	Streptococcus Agalactiae		clinical exudates	Julak et al. 2003
Bacteria	Streptococcus Dysgalactiae		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Pneumoniae		clinic	Preti., 2009
Bacteria	Streptococcus Pyogenes		clinical exudates	Julak et al. 2003
Bacteria	Streptococcus Uberis		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Viridans		clinical exudates	Julak et al. 2003
Bacteria	Veillonella Spp.	Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.		Hinton and Hume, 1995
Fungi	Candida Albicans		clinical exudates	Julak et al. 2003
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011
Fungi	Penicillium Aurantiogriseum	n/a		Boerjesson et al., 1990
Fungi	Penicillium Camemberti			Larsen 2000
Fungi	Penicillium Caseifulvum			Larsen 2000
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Acinetobacter Baumanii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Actinobacillus Actinomycetemcomitans Y4	n/a	n/a
Bacteria	Actinomyces Europaeus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Actinomyces Naeslundii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Arthrobacter Agilis UMCV2	LB medium/NA medium	SPME-GC/MS	No
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Bacillus Spp.	n/a	n/a
Bacteria	Bacteroides Bivius	n/a	n/a
Bacteria	Bacteroides Capillosus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Bacteroides Distasonis	n/a	n/a
Bacteria	Bacteroides Fragilis	n/a	n/a
Bacteria	Bacteroides Ovatus	n/a	n/a
Bacteria	Bacteroides Pyogenes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Bacteroides Thetaiotamicron	n/a	n/a
Bacteria	Bacteroides Vulgatus	n/a	n/a
Bacteria	Burkholderia Tropica MTo431	Potato dextrose agar	Headspace trapping/ GC-MS
Bacteria	Capnocytophaga Ochracea ATCC 33596	n/a	n/a
Bacteria	Clostridium Bifermentans	n/a	n/a
Bacteria	Clostridium Butyricum	n/a	n/a
Bacteria	Clostridium Cadaverum	n/a	n/a
Bacteria	Clostridium Difficile	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Fallax	n/a	n/a
Bacteria	Clostridium Histolyticum	n/a	n/a
Bacteria	Clostridium Perfringens	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Ramosum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Septicum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Clostridium Sporogenes	n/a	n/a
Bacteria	Clostridium Tertium	n/a	n/a
Bacteria	Enterococcus Faecalis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Escherichia Coli	n/a	n/a
Bacteria	Eubacterium Lentum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Fusobacterium Necrophorum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Fusobacterium Nucleatum ATCC 23726	n/a	n/a
Bacteria	Fusobacterium Nucleatum ATCC 33568	n/a	n/a
Bacteria	Fusobacterium Simiae	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Haemophilus Influenzae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Bacteria	Klebsiella Pneumoniae	VF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)	HS-SPME/GC-MS
Bacteria	Lactobacillus Acidophilus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Lactobacillus Casei NCIB 8010	n/a	n/a
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a	n/a
Bacteria	Lactobacillus Rhamnosus CIRM1436	curd-based broth medium	GC/MS	Yes
Bacteria	Lactococcus Lactis DSM 20202	n/a	n/a
Bacteria	Leuconostoc Cremoris DSM 20346	n/a	n/a
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a	n/a
Bacteria	Leuconostoc Oenos 19	n/a	n/a
Bacteria	Leuconostoc Oenos 30	n/a	n/a
Bacteria	Leuconostoc Oenos 36	n/a	n/a
Bacteria	Leuconostoc Oenos 37D	n/a	n/a
Bacteria	Leuconostoc Oenos 7B	n/a	n/a
Bacteria	Leuconostoc Oenos B66	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20252	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20255	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20257	n/a	n/a
Bacteria	Leuconostoc Oenos Lc5x	n/a	n/a
Bacteria	Nocardia Sp.	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Pediococcus Damnosus DSM 20331	n/a	n/a
Bacteria	Peptostreptococcus Anaerobicus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptostreptococcus Asaccharolyticus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptostreptococcus Prevotii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Porphyromonas Gingivalis FDC381	n/a	n/a
Bacteria	Porphyromonas Gingivalis W83	n/a	n/a
Bacteria	Prevotella Intermedia ATCC 25261	n/a	n/a
Bacteria	Prevotella Loescheii ATCC 15930	n/a	n/a
Bacteria	Propionibacterium Acnes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Propionibacterium Propionicum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Proteus Mirabilis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Pseudomonas Brassicacearum USB2104	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Simiae AU	Nutrient broth; King's B agar	GC/MS	No
Bacteria	Salmonella Enterica	n/a	n/a
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Shigella Flexneri	n/a	n/a
Bacteria	Staphylococcus Aureus	VF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)	HS-SPME/GC-MS
Bacteria	Staphylococcus Epidermidis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Staphylococcus Sp.	n/a	n/a
Bacteria	Streptococcus Agalactiae	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Streptococcus Dysgalactiae		GCMS DSQ	no
Bacteria	Streptococcus Pneumoniae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Bacteria	Streptococcus Pyogenes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Streptococcus Uberis		GCMS DSQ	no
Bacteria	Streptococcus Viridans	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Veillonella Spp.	n/a	n/a
Fungi	Candida Albicans	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Fungi	Candida Tropicalis	n/a	n/a
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/GC-MS
Fungi	Penicillium Aurantiogriseum	n/a	n/a
Fungi	Penicillium Camemberti			no
Fungi	Penicillium Caseifulvum			no
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Tuber Aestivum	n/a	n/a
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	n/a

3-hydroxybutan-2-one

Mass-Spectra

Compound Details

Synonymous names

acetylmethylcarbinol

Dimethylketol

Acethoin

acetoine

ROWKJAVDOGWPAT-UHFFFAOYSA-N

acetoin

NATURAL ACETOIN

Acetyl methyl carbinol

acetylmethyl-

beta-oxobutane

Methanol, acetylmethyl

3-Hydroxybutanone

b-oxobutane

Acetoin, analytical standard

DL-Acetoin

gamma-Hydroxy-beta-oxobutane

1-Hydroxyethyl methyl ketone

Methanol, acetylmethyl-

1-Hydroxethyl methyl ketone

2-Acetoin

Acetyl Methyl Carbinol, Natural

AC1L18NL

AC1Q1JA8

Acetoin (natural)

KSC490C7N

2,3-Butanolone

3-Hydroxy-2-butanone; Acetylmethylcarbinol

NSC7609

UN2621

2-hydroxy-3-oxobutane

3-hydroxy-2-oxobutane

3-hydroxyl-2-butanone

Acetoin, May exist as crystalline dimer

CTK3J0176

HMDB03243

HSDB 974

2-Hydroxy-3-butanone

3-hydroxy-2-butanone

3-hydroxy-2-butanone, hydroxybutanone

3-hydroxybutan-2-one

LS-164

NSC89727

RP18489

C00466

CCRIS 2918

LTBB004792

2-Butanol-3-one

3-Oxo-2-butanol

AK128843

CHEMBL3561873

DTXSID0024399

NSC 7609

NSC-7609

OR035239

OR108639

OR315616

UN 2621

Acetoin, >=96%, natural

CHEBI:15688

DSSTox_CID_4399

2-butanone, 3-hydroxy

3-hydroxy-butan-2-one

AB1002764

AN-45468

ANW-31250

DSSTox_GSID_24399

KB-32104

NSC-89727

SC-18553

DSSTox_RID_77389

LMFA12000020

MFCD00004521

MFCD00038696

AI3-03314

Butan-2-ol-3-one

DB-003392

RTR-018308

ST24042214

TR-018308

.gamma.-Hydroxy-.beta.-oxobutane

AKOS000121293

AKOS017278202

I09-0138

Q-200581

2-Butanone, 3-hydroxy-

BRN 0385636

FEMA No. 2008

FT-0621797

FT-0695713

Acetoin, natural, >=95%, FG

Tox21_302518

513-86-0

F0001-1338

PROPOXY, 1-METHYL-2-OXO-

(+/-)-Acetoin

Acetoin, >=96%, FCC, FG

Butan-2-one, 3-hydroxy-

MCULE-5374414264

NCGC00256914-01

CAS-513-86-0

EINECS 208-174-1

51555-24-9

52217-02-4

Acetyl methyl carbinol [UN2621] [Flammable liquid]

MolPort-001-785-644

Acetyl methyl carbinol [UN2621] [Flammable liquid]

(+/-)-3-Hydroxybutan-2-one

2-Butanone, 3-hydroxy- (8CI,9CI)

2-Butanone, 3-hydroxy-, (R)-

2-01-00-00870 (Beilstein Handbook Reference)

2-Butanone, 3-hydroxy-, (.+/-.)-

IUPAC name

3-hydroxybutan-2-one

SMILES

CC(C(=O)C)O

Inchi

InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3

Formula

C₄H₈O₂

PubChem ID

179

Molweight

88.106

LogP

-0.14

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones Alcohols Alcohol Ketone

mVOC Specific Details

Volatilization

The Henry's Law constant for acetoin is estimated as 1.0X0-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that acetoin is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 28 days(SRC). Acetoin's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetoin is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

Soil Adsorption

The Koc of acetoin is estimated as 2(SRC), using a water solubility of 1.0X10+6 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that aetoin is expected to have very high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; The AQUASOL DATABASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
2.7X10+0 at 25 deg C /Estimated/	US EPA; Estimation Program Interface (EPI) Suite. Ver.3.11. June 10, 2003. Available from, as of Mar 15, 2005: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

MS-Links

MS-MS Spectrum 13740

MS-MS Spectrum 2219 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5865 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 7069

MS-MS Spectrum 2218 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2220 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 4163

1D NMR Spectrum 3890

1D NMR Spectrum 1939 - Bruker 600 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Collimonas Fungivorans Ter331	n/a		Garbeva et al., 2013
Bacteria	Collimonas Pratensis Ter91	n/a		Garbeva et al., 2013
Bacteria	Bacillus Amyloliquefaciens IN937a	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Subtilis 168	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Subtilis GB03	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Escherichia Coli O157:H8		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2017
Bacteria	Lactobacillus Rhamnosus LSL 216	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Listeria Monocytogenes ATCC 19111		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Paenibacillus Polymyxa Sb3-1		collection TU Graz	Rybakova et al. 2017
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Shigella Flexneri CGCMCC 1.1868		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Staphylococcus Aureus	n/a		Preti et. al., 2009
Bacteria	Staphylococcus Aureus ATCC 6538		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Bacteria	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Fungi	Laccaria Bicolor	n/a		Mueller et al., 2013
Fungi	Paxillus Involutus MAJ	n/a		Mueller et al., 2013
Fungi	Paxillus Involutus NAU	n/a		Mueller et al., 2013
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Stropharia Rugosoannulata	n/a		Mueller et al., 2013
Fungi	Trichoderma Viride	n/a		Mueller et al., 2013
Fungi	Tuber Borchii	na	na	Splivallo and Ebeler 2015
Fungi	Tuber Indicum		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al., 2007b
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Bacillus Cereus B-569	n/a		Blom et al., 2011
Bacteria	Burkholderia Graminis LMG 18924	n/a		Blom et al., 2011
Bacteria	Burkholderia Tropica LMG 22274	n/a		Blom et al., 2011
Bacteria	Chromobacterium Violaceum CV0	n/a		Blom et al., 2011
Bacteria	Enterobacter Agglomerans			Robacker and Lauzon 2002
Bacteria	Limnobacter Thiooxidans LMG 19593	n/a		Blom et al., 2011
Bacteria	Pandoraea Norimbergensis LMG 18379	n/a		Blom et al., 2011
Bacteria	Pseudomonas Chlororaphis	n/a		Blom et al., 2011
Bacteria	Serratia Entomophilia A1MO2	n/a		Blom et al., 2011
Bacteria	Serratia Marcescens MG1	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica HRO-C48	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica IC14	n/a		Blom et al., 2011
Bacteria	Serratia Proteamaculans B5a	n/a		Blom et al., 2011
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	n/a		Blom et al., 2011
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Amyloliquefaciens IN937a	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.		Ryu et al., 2003
Bacteria	Bacillus Amyloliquefaciens UCMB5113	na	na	Asari et al., 2016
Bacteria	Bacillus Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Bacillus Spp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Bacteria	Bacillus Subtilis GB03	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.		Ryu et al., 2003
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Coagulase-negative Staphylococci	n/a		Hettinga et al., 2008
Bacteria	Enterobacter Spp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Bacteria	Escherichia Coli DH5a	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Klebsiella Sp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Casei NCIB 8010	n/a		Tracey and Britz, 1989
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a		Tracey and Britz, 1989
Bacteria	Lactococcus Lactis DSM 20202	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Cremoris DSM 20346	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos B66	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 19	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 30	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 36	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 37D	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20255	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20257	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a		Tracey and Britz, 1989
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Pediococcus Damnosus DSM 20331	n/a		Tracey and Britz, 1989
Bacteria	Serratia Sp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Bacteria	Staphylococcus Aureus	n/a		Hettinga et al., 2008
Bacteria	Staphylococcus Epidermidis DSM 3269		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Haemolyticus CCM 2729		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Staphylococcus Saccharolyticus B5709		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi DSMZ 4807		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi H34		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Bacteria	Staphylococcus Warneri CCM 2730		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Streptococcus Dysgalactiae		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Uberis	n/a		Hettinga et al., 2008
Bacteria	Streptomyces Spp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Fungi				Dickschat et al. 2011
Fungi	Boletus Variegatus	n/a		Stotzky and Schenk, 1976
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Trichoderma Viride	n/a		Hung et al., 2013
Fungi	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Collimonas Fungivorans Ter331	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Collimonas Pratensis Ter91	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Bacillus Amyloliquefaciens IN937a	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Subtilis 168	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Subtilis GB03	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Escherichia Coli O157:H8	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Lactobacillus Rhamnosus LSL 216	curd-based broth medium	GC/MS	Yes
Bacteria	Listeria Monocytogenes ATCC 19111	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Paenibacillus Polymyxa Sb3-1		GC-MS / SPME	no
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Shigella Flexneri CGCMCC 1.1868	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Staphylococcus Aureus	Blood agar/chocolate blood aga	HS-SPME/GC-MS
Bacteria	Staphylococcus Aureus ATCC 6538	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Staphylococcus Sciuri	867 liquid medium	SPME-GC/MS
Fungi	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Paxillus Involutus MAJ	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Paxillus Involutus NAU	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Tuber Borchii	na	SPME-GC/MS/O); GC-R	Yes
Fungi	Tuber Indicum			Yes
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Bacteria	Bacillus Cereus B-569	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Graminis LMG 18924	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Tropica LMG 22274	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Chromobacterium Violaceum CV0	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Enterobacter Agglomerans			no
Bacteria	Limnobacter Thiooxidans LMG 19593	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pandoraea Norimbergensis LMG 18379	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Chlororaphis	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Entomophilia A1MO2	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Marcescens MG1	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica HRO-C48	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica IC14	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Proteamaculans B5a	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	MR-VP and LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a	n/a
Bacteria	Bacillus Amyloliquefaciens UCMB5113	M9A	GC/MS	No
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Bacillus Spp.	n/a	n/a
Bacteria	Bacillus Subtilis GB03	n/a	n/a
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Coagulase-negative Staphylococci	Milk	HS-SPME/GC-MS
Bacteria	Enterobacter Spp.	n/a	n/a
Bacteria	Escherichia Coli DH5a	TSA	SPME-GC	no
Bacteria	Klebsiella Sp.	n/a	n/a
Bacteria	Lactobacillus Casei NCIB 8010	n/a	n/a
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a	n/a
Bacteria	Lactococcus Lactis DSM 20202	n/a	n/a
Bacteria	Leuconostoc Cremoris DSM 20346	n/a	n/a
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a	n/a
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a	n/a
Bacteria	Leuconostoc Oenos B66	n/a	n/a
Bacteria	Leuconostoc Oenos 19	n/a	n/a
Bacteria	Leuconostoc Oenos 30	n/a	n/a
Bacteria	Leuconostoc Oenos 36	n/a	n/a
Bacteria	Leuconostoc Oenos 37D	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20255	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20257	n/a	n/a
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a	n/a
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Pediococcus Damnosus DSM 20331	n/a	n/a
Bacteria	Serratia Sp.	n/a	n/a
Bacteria	Staphylococcus Aureus	Milk	HS-SPME/GC-MS
Bacteria	Staphylococcus Epidermidis DSM 3269	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Haemolyticus CCM 2729	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Saccharolyticus B5709	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi DSMZ 4807	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi H34	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sp.	n/a	n/a
Bacteria	Staphylococcus Warneri CCM 2730	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Streptococcus Dysgalactiae		GCMS DSQ	no
Bacteria	Streptococcus Uberis	Milk	HS-SPME/GC-MS
Bacteria	Streptomyces Spp.	n/a	n/a
Fungi				no
Fungi	Boletus Variegatus	n/a	n/a
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS
Fungi	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no

Propan-2-one

Mass-Spectra

Compound Details

Synonymous names

Dimethylformaldehyde

dimethylcetone

dimethylketone

Dimethyl formaldehyde

Dimethylketal

Dimethylketon

methylketone

isopropanal

CSCPPACGZOOCGX-UHFFFAOYSA-N

Propanon

propanone

Sasetone

Aceton

acetone

Acetone, Spectrophotometric Grade

Azeton

beta-Ketopropane

Chevron acetone

Citronellidene Acetone; Baccartol

Dimethyl ketone

Pyroacetic acid

Pyroacetic ether

2propanone

b-Ketopropane

Dimethylketone, Pyroacetic acid

Ketone propane

Methyl ketone

methyl-ketone

Acetone HP

Acetone HPLC grade

Acetone, analytical standard

Acetone, Environmental Grade

Acetone, Semiconductor Grade

d-acetone

Acetone Reagent Grade ACS

Ketone, dimethyl

2-propanal

2-propanone

Acetone, technical grade

ACETONE, ACS

ACETONE, HPLC

AC1L18NO

Acetone, ACS reagent

Acetone, HPLC Grade

Acetone, suitable for determination of dioxins

.beta.-Ketopropane

Acetone (natural)

Acetone, for HPLC

ACMC-1AI6Y

Ketone, dimethyl-

Pyroacetic spirit (archaic)

Acetone, pharmaceutical secondary standard; traceable to USP

Acetone, puriss.

HSDB 41

KSC353M9B

propan-2-one

UNII-N4G9GAT76C component CSCPPACGZOOCGX-UHFFFAOYSA-N

CHEMBL14253

UN1090

A0054

Acetone (NF)

Acetone (TN)

Acetone [NF]

Acetone p.A.

c0556

CTK2F3690

HMDB01659

RL04583

(CH3)2CO

1364PS73AF

C00207

CCRIS 5953

D02311

RCRA waste number U002

WLN: 1V1

ZINC895111

Aceton (GERMAN, POLISH)

Acetone, >=99%, meets FCC analytical specifications

Acetone, GC, for residue analysis

Acetone, United States Pharmacopeia (USP) Reference Standard

DTXSID8021482

LS-1566

NSC135802

OR034251

OR325696

UN 1090

Acetone oil (Salt/Mix)

Acetone, natural, >=97%

CHEBI:15347

DSSTox_CID_1482

UNII-1364PS73AF

AN-41894

DSSTox_GSID_21482

KB-47075

Acetone, 99.5%

Acetone, LR, >=99%

Caswell No. 004

DSSTox_RID_76176

LMFA12000057

MFCD00008765

ZINC00895111

AI3-01238

NSC 135802

NSC-135802

RTR-022713

TR-022713

Acetone, ACS spectrophotometric grade, >=99.5%

AKOS000120890

EPA Pesticide Chemical Code 004101

RCRA waste no. U002

Aceton [German, Dutch, Polish]

Acetone, for chromatography, >=99.8%

Acetone, histological grade, >=99.5%

Acetone, Laboratory Reagent, >=99.5%

FEMA No. 3326

FT-0621799

FT-0671108

67-64-1

Acetone, 99% 1L

I14-51516

Tox21_111096

Tox21_202480

Acetone, >=99.5%, ACS reagent

Acetone, >=99.5%, for residue analysis

Acetone, ACS reagent, >=99.5%

Acetone, AR, >=99.5%

Acetone, for residue analysis, >=99.5%

Acetone, UV HPLC spectroscopic, 99.8%

CAS-67-64-1

2-Propanone, >60% in a non hazardous diluent

4468-52-4

Acetone, for HPLC, >=99.8%

Acetone, for HPLC, >=99.9%

Acetone, JIS special grade, >=99.5%

NCGC00091179-01

NCGC00260029-01

Acetone, puriss., 99.0%

Acetone, SAJ first grade, >=99.0%

EINECS 200-662-2

Acetone [UN1090] [Flammable liquid]

UN 1091 (Salt/Mix)

EC 200-662-2

2941-EP1441224A2

2941-EP2269975A2

2941-EP2269977A2

2941-EP2269986A1

2941-EP2269988A2

2941-EP2269989A1

2941-EP2269990A1

2941-EP2269992A1

2941-EP2269993A1

2941-EP2269994A1

2941-EP2269995A1

2941-EP2269997A2

2941-EP2269999A1

2941-EP2270000A1

2941-EP2270004A1

2941-EP2270006A1

2941-EP2270009A1

2941-EP2270010A1

2941-EP2270011A1

2941-EP2270012A1

2941-EP2270013A1

2941-EP2270014A1

2941-EP2270015A1

2941-EP2270016A1

2941-EP2270113A1

2941-EP2270114A1

2941-EP2272517A1

2941-EP2272537A2

2941-EP2272813A2

2941-EP2272817A1

2941-EP2272822A1

2941-EP2272825A2

2941-EP2272827A1

2941-EP2272830A1

2941-EP2272832A1

2941-EP2272835A1

2941-EP2272837A1

2941-EP2272839A1

2941-EP2272840A1

2941-EP2272843A1

2941-EP2272844A1

2941-EP2272845A2

2941-EP2272848A1

2941-EP2272849A1

2941-EP2272935A1

2941-EP2272972A1

2941-EP2272973A1

2941-EP2274983A1

2941-EP2275102A1

2941-EP2275105A1

2941-EP2275395A2

2941-EP2275401A1

2941-EP2275404A1

2941-EP2275407A1

2941-EP2275410A1

2941-EP2275411A2

2941-EP2275412A1

2941-EP2275413A1

2941-EP2275414A1

2941-EP2275415A2

2941-EP2275416A1

2941-EP2275419A2

2941-EP2275423A1

2941-EP2275424A1

2941-EP2275425A1

2941-EP2275427A1

2941-EP2275469A1

2941-EP2277565A2

2941-EP2277566A2

2941-EP2277567A1

2941-EP2277568A2

2941-EP2277569A2

2941-EP2277570A2

2941-EP2277848A1

2941-EP2277861A1

2941-EP2277862A2

2941-EP2277865A1

2941-EP2277866A1

2941-EP2277867A2

2941-EP2277872A1

2941-EP2277874A1

2941-EP2277875A2

2941-EP2277878A1

2941-EP2277879A1

2941-EP2277880A1

2941-EP2277881A1

2941-EP2277898A2

2941-EP2279750A1

2941-EP2280000A1

2941-EP2280001A1

2941-EP2280003A2

2941-EP2280008A2

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2941-EP2305688A1

2941-EP2305689A1

2941-EP2305695A2

2941-EP2305696A2

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2973-EP2371805A1

2973-EP2374791A1

6121-EP0930075A1

Acetone, for residue analysis, suitable for 5000 per JIS

MolPort-000-871-974

Acetone [UN1090] [Flammable liquid]

79278-EP2305695A2

79278-EP2305696A2

79278-EP2305697A2

79278-EP2305698A2

81217-EP2298761A1

81217-EP2301544A1

81217-EP2305254A1

81217-EP2305687A1

88746-EP2275105A1

88746-EP2305825A1

Acetone, for luminescence, >=99.5% (GC)

Acetone, purum, >=99.0% (GC)

Acetone, ReagentPlus(R), phenol free, >=99.5%

Acetone, semiconductor grade MOS PURANAL(TM) (Honeywell 17921)

Acetone, semiconductor grade ULSI PURANAL(TM) (Honeywell 17014)

Acetone, semiconductor grade VLSI PURANAL(TM) (Honeywell 17617)

Acetone, for HPLC, >=99.8% (GC)

2-Propanone, >10 - 60% in a non hazardous diluent

Acetone, for UV-spectroscopy, ACS reagent, >=99.7% (GC)

Acetone solution, contains 20.0 % (v/v) acetonitrile, for HPLC

InChI=1/C3H6O/c1-3(2)4/h1-2H

Acetone, HPLC Plus, for HPLC, GC, and residue analysis, >=99.9%

Acetone solution, certified reference material, 2000 mug/mL in methanol: water (9:1)

Acetone, puriss., meets analytical specification of Ph. Eur., BP, NF, >=99% (GC)

Acetone, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)

IUPAC name

propan-2-one

SMILES

CC(=O)C

Inchi

InChI=1S/C3H6O/c1-3(2)4/h1-2H3

Formula

CH₃COCH₃

PubChem ID

180

Molweight

58.08

LogP

0.11

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones

mVOC Specific Details

Volatilization

The Henry's Law constant for acetone was measured as 3.50X10-5 atm-cu m/mole(SRC) at 25 deg C(1). This value indicates that acetone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as approximately 21 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as approximately 8.8 days(SRC). Volatilization rate constants of acetone measured in an experimental stream (234 m long, water velocity 0.67 m/min) were in the range of 8.23X10-4 min-1 to 11.1X10-4 min-1(3); these rate constants correspond to volatilization half-lives of about 10-14 hours(3). Similar experiments in the same stream measured acetone volatilization rate constants in the range of 6.22X10-4 min-1 to 14.5X10-4 min-1(4,5); these rate constants correspond to volatilization half-lives of about 8-18 hours(4,5). Acetone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 231 mm Hg at 25 deg C(6).
Literature: (1) Benkelberg HJ et al; J Atmos Chem 20: 17-34 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Rathbun RE et al; J Hydrol 104: 181-209 (1988) (4) Rathbun RE et al; J Hydrol 123: 225-42 (1991) (5) Rathbun RE et al; Environ Pollut 79: 153-62 (1993) (6) Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of acetone can be estimated to be 2.4(SRC). According to a classification scheme(2), this estimated Koc value suggests that acetone is expected to have very high mobility in soil. In sorption studies, acetone showed no adsorption to montorillonite, kaolinite clay, or stream sediment(3,4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Feb 10, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Rathbun RE et al; Chemosphere 11: 1097-114 (1982) (4) Wolfe TA et al; J Water Pollut Control Fed 58: 68-76 (1986)

Vapor Pressure

Pressure	Reference
231 mm Hg at 25 deg C	Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)

MS-Links

MS-MS Spectrum 5441 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 17621

MS-MS Spectrum 5439 - EI-B (JEOL JMS-D-3000) Positive

MS-MS Spectrum 17623

MS-MS Spectrum 5440 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 17622

MS-MS Spectrum 1674 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 10950

MS-MS Spectrum 10951

MS-MS Spectrum 1672 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 10949

MS-MS Spectrum 1673 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 3273 - Varian 25.16 MHz 13C NMR

1D NMR Spectrum 1304 - Bruker 400 MHz 13C NMR

1D NMR Spectrum 2577 - JEOL 300 MHz 1H NMR

1D NMR Spectrum 1742 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Megaterium USB2103	lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Fungi	Phomopsis Sp.	na	endophyte of Odontoglossum sp.	Singh et al., 2011
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Escherichia Coli	n/a		Bunge et al., 2008
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014
Bacteria	Saccharomonospora Rectivirgula DSM 43113	na	soil	Wilkins, 1996
Bacteria	Shigella Flexneri	n/a		Bunge et al., 2008
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus IFO 13014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 6445	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 243	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008
Fungi	Ceratocystis Sp.	Inhibited growth of fungi. Has no effect on bacteria.		Stotzky and Schenk, 1976
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Phialophora Fastigiata Conant	na	na	Sunesson et al., 1995
Fungi	Thielaviopsis Basicola	Inhibited growth of fungi. Has no effect on bacteria.		Stotzky and Schenk, 1976
Fungi	Trichoderma Sp.	Inhibited growth of fungi. Has no effect on bacteria.		Stotzky and Schenk, 1976
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Penicillium Camemberti			Larsen 2002
Fungi	Penicillium Caseifulvum			Larsen 2002
Bacteria	Bacillus Simplex	n/a		Gu et al., 2007
Bacteria	Bacillus Subtilis	n/a		Gu et al., 2007
Bacteria	Bacillus Weihenstephanensis	n/a		Gu et al., 2007
Bacteria	Microbacterium Oxydans	n/a		Gu et al., 2007
Bacteria	Serratia Marcescens	n/a		Gu et al., 2007
Bacteria	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Bacteria	Stenotrophomonas Maltophilia	n/a		Gu et al., 2007
Bacteria	Streptomyces Lateritius	n/a		Gu et al., 2007
Fungi	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Oligospermum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Megaterium USB2103	King's B Agar	SPME-GC/MS	No
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Fungi	Phomopsis Sp.	PDA medium	SPME-GC/MS	Yes
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Trichodema Pseudokoningii	Malt extract/Low medium	GC/MS
Fungi	Trichodema Viride	Malt extract/Low medium	GC/MS
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Escherichia Coli	n/a	n/a
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	No
Bacteria	Saccharomonospora Rectivirgula DSM 43113	Nutrient agar CM3	GC/MS
Bacteria	Shigella Flexneri	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes ETH 18822	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Albidoflavus AMI 246	n/a	n/a
Bacteria	Streptomyces Albus IFO 13014	n/a	n/a
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a	n/a
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a	n/a
Bacteria	Streptomyces Antibioticus ETH 22014	n/a	n/a
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a	n/a
Bacteria	Streptomyces Coelicolor DSM 40233	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a	n/a
Bacteria	Streptomyces Griseus ATCC 23345	n/a	n/a
Bacteria	Streptomyces Griseus IFO 13849	n/a	n/a
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a	n/a
Bacteria	Streptomyces Hirsutus ETH 1666	n/a	n/a
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a	n/a
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a	n/a
Bacteria	Streptomyces Murinus DSM 40091	n/a	n/a
Bacteria	Streptomyces Murinus NRRL 8171	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 6445	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 7437	n/a	n/a
Bacteria	Streptomyces Rishiriensis AMI 224	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	n/a	n/a
Bacteria	Streptomyces Spp. AMI 243	n/a	n/a
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a	n/a
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Fungi	Candida Tropicalis	n/a	n/a
Fungi	Ceratocystis Sp.	n/a	n/a
Fungi	Penicillium Commune Pitt	DG18	GC/MS
Fungi	Phialophora Fastigiata Conant	DG18	GC/MS
Fungi	Thielaviopsis Basicola	n/a	n/a
Fungi	Trichoderma Sp.	n/a	n/a
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Penicillium Camemberti			no
Fungi	Penicillium Caseifulvum			no
Bacteria	Bacillus Simplex	n/a	n/a
Bacteria	Bacillus Subtilis	n/a	n/a
Bacteria	Bacillus Weihenstephanensis	n/a	n/a
Bacteria	Microbacterium Oxydans	n/a	n/a
Bacteria	Serratia Marcescens	n/a	n/a
Bacteria	Staphylococcus Sciuri	863 liquid medium	SPME-GC/MS
Bacteria	Stenotrophomonas Maltophilia	n/a	n/a
Bacteria	Streptomyces Lateritius	n/a	n/a
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Oligospermum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)

Ethanol

Mass-Spectra

Compound Details

Synonymous names

Altitudemedical Hand Antibacterial

Antibacterial Sanitizer

Careone Antibacterial Sanitizer Limoncello

Germstarcitrus

Methylcarbinol

Aethylalkohol

Antibacterial Hand Gingerbread

Antibacterial Hand Sanitizer Sunblossom

Boolicious Antibacterial Hand Sanitizer

Careone Antibacterial Sanitizer Gingerbread House

Careone Antibacterial Sanitizer Peppermint Candy

Ethylalcohol

Germstarnoro

Germstarnoro Unscented

Hand Sanitizer Passionfruit Pomegranate

Humphreys Alcoholado Maravilla

Hydroxyethane

Industrial Antiseptic Sanitizer

Jurlique Moisturizing Hand Sanitizer Natural Antibacterial

Marshmallow Antibacterial Hand

Pretty Peppermint Antibacterial

Sekundasprit

Strawberry Antibacterial Hand Sanitizer

Actiprep Preoperative Skin Preparation

Antibacterial Hand Sanitizer

Antibacterial Hand Sanitizer Pamegranate Apple

Antibacterial Hand Towelettes

Antibactierial Hand Sanitizer

Antimicrobial Hand Sanitizer

Aprilguard Antiseptic Handrub

Boolicious Antibacterial Hand

Cucumber Melon Antibacterial Sanitizer

Dial Professional Antibacterial Hand Sanitizer

Ethanolum anhydricum

Fermentation alcohol

Gingerbread

Hamamelis virginiana

Hinetoless

Holiday Cookie Antibacterial

Instafresh

Lalaloopsy Watermelon Antiseptic Hand Cleansing

Lavender Antibacterial Hand Sanitizer

Mandarin Antibacterial Hand Sanitizer

Marshmallow

Methylated Spirit Mineralised

Oxydimethylene Group

Raspberry Guava Antibacterial

Safesha Unfragranced

Spatheraphy

Spatherapy Grapefruit Nectar

Spatherapy Lemon Pomegranate

Triseptin Waterless

undenatured Ethanol

Advanced

Aethanol

Alcohol anhydrous

Alcohol dehydrated

Alcohols

Alkoholu etylowego

Almond Antibacterial Hand Sanitizer

Anhydrol

Anhydrous alcohol

Anhydrous ethanol

Antiacterial Hand Sanitizer

Blackberry Vanilla Hand Sanitizer Bodycology

Body Luxuries Strawberry Shortcake Antibacterial Hand Sanitizer

Bodycology Moisturizing Hand Sanitizer Cherry Blossom

Bodycology Moisturizing Hand Sanitizer Cucumber Melon

Bodycology Moisturizing Hand Sanitizer Midnight Garden

Bodycology Vanilla Cupcake

Careone Antibacterial Hand Sanitizer Mistletoe Kisses

Careone Antibacterial Hand Sanitizer Seasons Greetings

Clorox Antimicrobial Hand Sanitizer

Coconut Antibacterial Hand Sanitizer

Coconut Lime Antibacterial Sanitizer

Colemanhand Sanitizer Hand Sanitizer

Cranberry Vanilla Scented Antibacterial Hand Sanitizer

Decolorized Iodine

Dehydrated alcohol

Dehydrated ethanol

Denatured alcohol

Denatured ethanol

Distilled spirits

Egyptian Cotton Antibacterial Hand Sanitizer

Ethanol Anhydrous

Ethanol vergaellt

Foamahol

Hand Sanitizing Strawberry

Handful Sanitizer

Hanitizer

HYDROXYETHYL GROUP

Infectiguard Hand Sanitizer

Justice Watermelon Scent Antibacterial Hand Sanitizer

LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Lollipop

Medisoft

Methylated spirit

Microban

Microban Unscented

Moisturizing Hand Sanitizer

Moisturizing Instant Hand Sanitizer

Naturals Vanilla Antibacterial Hand

Peppermint Swirl Antibacterial Hand Sanitizer

Pineapple Paradise

Pink Grapefruit Antibacterial Hand Sanitizer

POLYETHYLENGLYCOL11

Proandre

Purell Advanced Refreshing

Purell Alcohol Formulation

Sanifoam

Sanitaxe

Sanitizer

Satsuma Antibacterial Hand Sanitizer

Shopko Antibacterial Hand Sanitizer

Smartcare Shopkins

Spatherapy Eucalyptus Mint

Spatherapy Lavender Jasmine

Spatherapy Raspberry Brulee

Sterillium Comfort

Strawberry Champagne Hand Sanitizer

Swirling Lollipop

Twisted Peppermint

Unscented

Vanilla Cupcake Antibacterial Hand Sanitizer

Very Vanilla Antibacterial

Xtracare Lavender Chamomile

Zylast Antiseptic

absolute alcohol

Absolute ethanol

Aftermath Hand Sanitizer

alcohol

alcohol etilico

Alcool ethylique

Algrain

Alkohol

Antibacterial Hand Cranberry Spice

Antibacterial Hand Sanitizer Citrus Coconut

Antibacterial Hand Sanitizer Passion Flower

Antibacterial Hand Sanitizer Pocket Sprayer

Antibacterial Hand Sanitizer Spray

Antiseptic Hand Sanitizer

Assured Instant

Aurora Antibacterial Sanitizer Summer Cotton Breeze

Beautos Antibacterial Hand Sanitizer Lemon

Bodycology Moisturizing Hand Sanitizer Sweet Petals

Bodycology Moisturizing Hand Sanitzer White Gardenia

Branders Antiseptic Hand Sanitizer

Cardinal Health Sanitizer

Careone

Careone Antibacterial Sanitizer Fresh Water

Celox Antiseptic

Charlie Girl Blueberry Antibacterial Hand Sanitizer

Charlie Girl Strawberry Antibacterial Hand Sanitizer

Claires

Claires Fancy Nancy Antibacterial Strawberry Parfait

Claree

Clinishield Instant Hand Sanitizer

Coconut Tuberose

Cologne spirits

Cranberry Hand Sanitizer

Creamsicle Hand Sanitizer

Cupcake

Daisy Blossom Antibacterial Hand Sanitizer

Deb Instantfoam Alcohol Sanitizer

Deb Instantfoam Complete

Dermagel Hand Sanitizing

Digisan

Digisan Healthcare Hand Sanitizer

diluted Alcohol

Drinking alcohol

Elyptol Antimicrobial Rub

Enchanted Forest Hand Sanitizer Bodycology

Envirokleen Instant Hand Sanitizer

etanol

Etanolo

ethanol

Ethanol Absolute

Ethanol solution

Ethicap

Ethyl hydroxide

Ethylic alcohol

Ethylol

Etylowy alkohol

Facilipro Hand Sanitizer

Fengliaoxing Fengshi Dieda Yaojiu

Freshorize Hand Sanitizer

Hand Sanitizer Anticeptic

Hand Sanitizer Bodycology

Hand Sanitizer Ultrathon

Hand Sanitizing Blueberry

Hand Sanitizing Lavender

Hand Sanitizing Mandarin

Hand Sanitizing Unscented

Hannaford Hand Sanitizer

Hibiscus Breeze

Higher alcohol distillate

Honeysuckle Ginger Hand Sanitizer

Instant Hand Sanitizer Kickprints

Instantfoam Alcohol Hand Sanitizer

Iris Antimicrobial Hand Sanitizer

Jaysol

Kleenex Moisturizing Instant Hand Sanitizer

Mango Antibacterial Hand Sanitizer

Medichoice Hand Sanitizer

Megafresh Hand Sanitizer

Modesa

Molasses alcohol

Naturals Cucumber Melon Antibacterial Hand

Olive Antibacterial Hand Sanitizer

Orange Blossom Antibacterial Hand

Peppermint Hand Sanitizer

Pomegranate Scented Hand Sanitizer

Preference Hand Sanitizer

Prevail Hand Sanitizer Lemongrass

Prevail Pomegranate Hand Sanitizer

Prevent

Proformance Foam Alcohol Sanitizer

Pumpkin Spice Antibacterial Hand Sanitizer

Punctilious ethyl alcohol

QMHAIh@

Raspberry Hand Sanitizer

Reagent Alcohol

Recens

Regimen

Rubbing

Safeguard Hand Sanitizer

Safesha Lavender

Sanitizer Hand Sanitizer

Sassy Strawberry

Sea Marine Antibacterial

Skintegrity Instant Hand Sanitizer

Softsan

Spirit

Spooky Pumpkin Antibacterial Hand Sanitizer

Spooky Vanilla Antibacterial Hand

Spooky Vanilla Antibacterial Hand Sanitizer

Strawberry Hand Sanitizer

Sunkissed Honeydew Hand Sanitizer

Sunmark Iodides Tincture

Synasol

Tecsol

Thanol

Topcare Apple Pomegranate

Trailways Hand Sanitizer

Unscented Hand Sanitizer

Vanilla Sugar Antibacterial Hand Sanitizer

Vindicator Instant Hand Sanitizer

Vinotinto Hand Sanitizer

Waterless Hand Sanitizer

Absolute ethyl alcohol

Actigel Hand Sanitizer

Advanced Hand Sanitizer

Alcare Foamed Antiseptic Handrub

Alcohol Wipes

Alcool etilico

Alcoscrub Foam

Alcoscrub Hand Cleaner

Anti-bacterial Hand Aromatherapy Stress Relief Eucalyptus Spearmint

Anti-bacterial Hand Sanitizer Eucalyptus Spearmint

Anti-bacterial Hand Sparkling Limoncello

Antibacterial Hand Arctic Blast

Antibacterial Hand Sanitizer Gel

Antibacterial Hand Sanitizer Pomegranate and Acai

Antibacterial Hand Sanitizer Sunflower and Citrus

Antimicrobial Alcohol Hand Wipes

Antimicrobial Hand Sanitizing Lotion Mango Scented

Antimicrobial Hand Wipe

Aogel

Assured Hand Sanitizer With Moisturizers

Aurora Antibacterial Sanitizer Sweet Lychee Berry

Azuro

Bactex Antiseptic Hand Sanitizer

Bella Maison Coconut Pineapple Antibacterial Hand Sanitizer

Bella Maison Tropical Vanilla Antibacterial Hand Sanitizer

Berkley Jensen Instant Sanitizer

Body Luxuries French Lavender Antibacterial Hand Sanitizer

Body Luxuries Tihitian Vanilla Antibacterial Hand Sanitizer

Body Luxuries Vanilla Frosting Antibacterial Hand Sanitizer

Bodycology Cherry Blossom Hand Sanitizer

Bodycology Cucumber Melon Hand Sanitizer

Bodycology Moisturizing Hand Sanitizer Brown Sugar Vanilla

Bodycology Sweet Petals

Care

Careone Antibacterial Hand Sanitizer Pumpkin Roll

Careone Antibacterial Sanitizer Pecan Pumpkin Pie

Careone Lemon

Cinnamon Sugar

Claires Fancy Nancy Antibacterial Glamourous Grape

Clear Defense

Clinishield Instant Hand Sanitizer Fragrance Free

Coconut Lime Antibacterial Hand Sanitizer

Cologne Spirit

Compact Hand Sanitizer

Cranberry Cake

Cvs Pharmacy Advanced Tangerine

Dawnmist Alcohol Hand Sanitizer

Defender Foaming Hand Sanitizer

Dermacen Instant Hand Sanitizer

Desinfektol EL

Desmanol Pure

Digisan Hand Sanitizer

Disney Princess Raspberry Scented Antiseptic Hand Cleansing

Dreumex Omnicare Hand Sanitizer

Dynarex Green

Enchanted Moments Mistletoe Kisses Hand Sanitizer

Ethanol Vapor

ethyl alcohol

Ethyl alcohol anhydrous

Ethyl alcohol,absolute

Ethyl hydrate

Ethyloxy Group

EtOH

Everyone Hand Sanitizer Peppermint Citrus

Fast

Floral Frenzy

Foaming Hand Sanitizer

Foaming Sanitizing Hand

Freeman Packaging Hand Sanitizer

Fresh Cucumber Melon Bodycology

Gbgf

Genuine Hand Sanitizer

Goongsecret Hands Clean

grain alcohol

Hand Sanitizer Orange Tangerine

Hand Sanitizer Prevail

Hand Sanitizer Spicy Peppermint

Hand Sanitizer Spraying

Hand Sanitizer With Moisturizers

Hawaiian Passion Hand Sanitizer

Healthcare Instant Hand Sanitizer Strawberry Scent

Hibiscus Coconut Hand Sanitizer

Hillyard Instant Hand Sanitizer

Hydrating Instant Hand Sanitizer

Icing

Infectiguard Fast Acting Antiseptic Hand Sanitizer

Infectiguard Fast Acting Antiseptic Hand Sanitizer With Moisturizer

Infinity Pure

Instant Hand Antiseptic

Instant Hand Sanitizer

Instant Hand Sanitizer Lavender

Instant Hand Sanitizer Original

Instant Hand Sanitizer Strawberry Scented

Instant Hand Sanitizer Twisted Peppermint

Instant Hand Sanitizer Unscented

Instant Hand Sanitizer With Moisturizers

Instant Hand Sanitizer With Moisturizers Unscented

Irresistible Apple Scented Hand Sanitizer

Jingle Berry Scented Antibacterial Hand Sanitizer

Kleenex Hand Sanitizer

Kleenex Ultra Moisturizing Hand Sanitizer

Knockout Hand Sanitizer

Lavender De Provence Antibacterial Hand Sanitizer

Lavender Hand Sanitizer

Lemon Thyme Antibacterial Hand Sanitizer

Letters Lavender Hand Sanitizer

Luscious Lime

Mandarin Orange and Lemon Antibacterial Sanitizer

Mckesson Hand Sanitizer

Modesa Antibacterial Hand Sanitizer Lemon

Mommy Tillia Antibacterial Hand

Naturals Pomegranate and Mango Antibacterial Hand

Novaclenz Instant Hand Sanitizer

Ocean Breeze Antibacterial Hand

Orange Spice Scented Antibacterial Hand Sanitizer

Organic Lavender Hand Sanitizer

Panrosa Instant Antiseptic Hand Sanitizer With Moisturizers

Papaya Mango Antibacterial Hand

Perfect Purity Advanced Hand Sanitizer Refreshing

Pomegranate Rose Hand Sanitizer

Potato alcohol

Premium Hand Sanitizer

Prevent Hand Sanitizer

Procure Hand Sanitizing

Purell Advanced Hand Sanitizer Refreshing Florals

Purell Advanced Hand Sanitizer Winterberry Delight

Purell Advanced Refreshing Aloe

Purell Personal Pack Sanitizing

Purell Waterless Surgical Scrub

Puritan Hand Sanitizer

Quality Choice Iodides Tincture

Raspberry Vanilla Scented Waterless Hand Sanitizer

Reagent Alcohol, spectrophotometric grade

Sani

Sanifoam Hand Sanitizer

Sanigizer Plus

Sanitizing Alcohol Rub

Scott Moisturizing Instant Hand Sanitizer

Septosan Hand Sanitizer

Shopkins Hand Sanitizer

Signature Alcohol Foaming Hand Sanitizer

silent spirit

Skintegrity Foaming Hand Sanitizer Fragrance Free

Softsoap Instant Hand Sanitizer With Moisturizers

spiritus vini

Spirt

Sterillium Med

Sterillium Rub

Sugar Cookies Scented Antibacterial Hand Sanitizer

Sugared Pear Antibacterial Hand Sanitizer

Sweet Daisy Antibacterial Hand Sanitizer

Sweet Lemon Antibacterial Hand Sanitizer

Swiss Hand Guard Antiseptic Handwash Antibacterial

Symmetry Foaming Hand Sanitizer

Symmetry Foaming Hand Sanitizer-unscented

Symmetry Hand Sanitizer

Sysco Reliance

Topcare Hand Sanitizer

Vanilla Bean Antibacterial Hand

Vanilla Bean Antibacterial Hand Sanitizer

Vanilla Hand Sanitizer

Vanilla Mint Antibacterial Hand Sanitizer

Vanilla Sugar Antibacterial Hand

Walgreens Instant Hand Sanitizer

Waterless Lavender Scented Hand Sanitizer

Winter Vanilla Hand Sanitizer Bodycology

Xtracare Cucumber Melon

Xtracare Instant Hand Sanitizer

Xtracare Instant Hand Sanitizer Original

Zep Professional Alcohol Hand Sanitizing

Zylast Antiseptic Surgical Scrub

Aidplus Alcohol Cleansing Pad

Aire-master

Alcare Hand Degermer

Alcohol Foaming Hand Sanitizer

Alcohol Swab

American Infection Control Antiseptic Body Wipes

American Infection Control Antiseptic Hand Wipes

Angel Foodcake Hand Sanitizer

Anti Bacterial Hand Sanitizer

Anti-bacterial Hand Copacabana Coconut

Anti-bacterial Hand Fresh Strawberries

Anti-bacterial Hand Marshmallow Mittens

Anti-bacterial Hand Sanitizer

Anti-bacterial Hand Sanitizer Fresh Strawberries

Anti-bacterial Hand Stache Pomegranate

Anti-bacterial Hand Twisted Peppermint

Anti-bacterial Hand Watermelon Lemonade

Antibacterial Hand Candy Cane

Antibacterial Hand Polar Mint

Antiseptic Hand Cleansing Gel

Aplicare Antiseptic Hand Rinse

Assured Aloe

Assured Instant Hand Sanitizer

Body Luxuries Moroccan Rose Antibacterial Hand Sanitizer

Body Luxuries Waterless Hand Sanitizer

Bodycology Sweet Petals Hand Sanitizer

Bortons Ethyl Rubbing Alcohol

Candy Apple

Careone Antibacterial Hand Sanitizer Winter Sky

Celox Ultra

Charlie Girl Grape Antibacterial Hand Sanitizer

Cherry Blossom Waterless Anti-antibateria Hand Sanitizer

Citrus Hand Sanitizer

Clara Instant Waterless Hand Sanitizer

Clario Instant Hand Sanitizer

Clean Choice Alcohol Sanitizer

Clean Hand Sanitizer

Clinical Works Lavender Blossom Waterless Hand Sanitizer

Clorox Hand Sanitizer

Coconut Vanilla Hand Sanitizer

Command Antibac Instant Hand Sanitizer

Cotton Blossom Waterless Anti-antibateria Hand Sanitizer

Cotton Candy

Cranberry Cherry Scented Hand Sanitizer

Cucumber Melon Hand Sanitizer

Deb Instantfoam Alcohol Hand Sanitizer

Elyptol Antimicrobial Hand Gel

EOH

EOX

Essence Of Beauty Japanese Garden Antibacterial

Ethanol, undenatured

Exotic Cherry Hand Sanitizer Bodycology

Facilipro Waterless Hand Rinse

fermentation alcohol

Frais Hand Sanitizer

Fresh Decor Citrus Pomegranate

Fresh Lavender Waterless Anti-antibateria Hand Sanitizer

Frosted Sugar Cookie

Gbg

Gbg Aloegel

Georgia-pacific Alcohol Hand Sanitizer

Gerigentle Hand Wipes

Germ Bullet

Gnp Iodides Tincture

Green Tea Antibacterial Hand Sanitizer

Hand Essentials Instant Hand Antiseptic

Hand Sanitizer Cranberry Tart

Hand Sanitizer Juicy Blueberry

Hand Sanitizer Pink Strawberry Lollipop

Hand Sanitizing Teachers Rule Mandarin

Hand Sanitizing Wipes

Handex Instant Hand Sanitizer

Hansan Foam

Hansan Spray

Healthcare Instant Hand Sanitizer Vanilla Scent

Hillyard Foaming Instant Hand Sanitizer

Icee Strawberry Scented Hand Sanitizer

Icing Winterberry Anti-bacterial Hand Sanitizer

Instant Foam

Instant Foaming Hand Sanitizer

Instant Hand Sanitizer and Moisterizer

Instant Hand Sanitizer Convenience Pack

Instant Hand Sanitizer Kuretek

Instant Hand Sanitizer Strawberry Kiss

Jelly Bean Antibacterial Hand

Keystone Liquid Hand Sanitizer

Kleenex Instant Hand Sanitizer

Landrum Instant Hand Sanitizer

Lemon Hand Sanitizer

Little Ones Lavender

Little Ones Original

Lucky Hand Sanitizer Lavender

Lux

Mellow Instant Hand Sanitizer Original

Mousse Vite

Mueller Instant Hand Sanitizer

Ocean Breeze

Ocean Hand Sanitizer

Orange Scented Hand Sanitizer

Peppermint Hand Sanitizer None

Pure Spring

Pure Spring Strawberry and Pomegranate

Purell Advanced Hand Sanitizer Revitalizing Rain

Purell Advanced Hand Sanitizer Spongebob Splash

Purell Advanced Hand Sanitizer Watermelon Splash

Purell Advanced Hand Sanitizer Wintergreen Mint

Purell Advanced Instant Hand Sanitizer

Purell Instant Ultra

Quik-care Antiseptic Handwash

Raining Rose Antiseptic Hand Sanitizer

Recens Foam

Recens Ultra

Refresh Foaming Instant Hand Sanitizer

Renewal Hand Sanitizing Wipes

Royal Hand Sanitizer

Safesha Sweet Orange

Sani Mousse

Sani Spritz

Sani-smooth

Sani-spritz

Saniguard-SF

Scaredy Cat Antibacterial Hand

Silken Hand Sanitizer

Smart San Healthcare Personnel Handwash

Smart Sense Original

Staples Instant Hand Sanitizer

Sterillium Rub Fragrance Free

Superman Berry Scented Antiseptic Hand Cleansing

Sweet Grape Antibacterial Hand

Tc Enrichedfoam Alcohol Hand Sanitizer

Thario Instant Hand Sanitizer

Toasted Vanilla Kit Bodycology

Toasted Vanilla Sugar Hand Sanitizer Bodycology

Topcare Aloe

Topcare Citrus Escape

Topcare Coconut Cream

Toy Cleaner

Triseptin Water Aided

Water Mountain Hand Sanitizer

Waterless Anti Bacterial Hand Sanitizer

Waterless Anti-bacterial Hand Cleanser

Waterless Fragrance Free Hand Sanitizer

Wilde Orchid

Winning Hands Alcohol Foaming

WITCH HAZEL

Witchs Brew Antibacterial Hand

Xtracare Warm Vanilla

Zep Alcohol Sanitizer

Zesty Lemon

1-Hydroxyethane

a polyvinyl alcohol

Al Cafoam

Alcare Plus Foamed Antiseptic Handrub

Alco Hand Sanitizer

Alcohol, anhydrous

Alcohol, dehydrated

Anti-bacterial Hand

Anti-bacterial Hand Bourbon Street Buttercream

Anti-bacterial Hand Caribbean Escape

Anti-bacterial Hand Champagne Sparkle

Anti-bacterial Hand Cleanser

Anti-bacterial Hand Frosted Cranberry

Anti-bacterial Hand Island Margarita

Anti-bacterial Hand Marshmallow Pumpkin Latte

Anti-bacterial Hand Sparklling Sweet Nectarine

Anti-bacterial Hand Stasher

Anti-bacterial Hand Surfside Spritzer

Anti-bacterial Hand Tahitian Paradise

Anti-bacterial Hand Turquoise Waters

Anti-bacterial Hand Watermelon Picnic

Anti-bacterial Hand Winter Wonderland

Antibacterial Hand Icy Mint

Antibacterial Hand Mistletoe and Mint

Antiseptic Hand Gel

Appeal Alcohol Foaming Hand Sanitizer

Apple Blossom Scented Hand Sanitizer

Assured Instant Hand Sanitizer Spray

Avagard D

Avant Foaming Hand Sanitizer

Avant Original Instant Hand Sanitizer

Batman Berry Scented Antiseptic Hand Cleansing

Bea-silky

Blanctis Essence Tooth Whitening Gel

Blockout Foot Wipes

Blue Rasberry Hand Sanitizer

Body Luxuries English Pear Antibacterial Hand Sanitizer

Bodycology Brown Sugar Vanilla Hand Sanitizer

Bubble Gum

Careone Antibacterial Hand Sanitizer Festival Of Lights

Careone Instant Hand Sanitizer Lemon

Cherry Blossom Scented Hand Sanitizer

Clario Foaming Alcohol Instant Hand Sanitizer

Clean All

Clinical Works Cucumber Melon Waterless Hand Sanitizer

Clinical Works Pink Grapefruit Waterless Hand Sanitizer

Coconut Water Scented Hand Sanitizer

Cotton Candy Hand Sanitizer

Ctca Foaming Hand Sanitizer

Cucumber Melon Scented Hand Sanitizer

Derma Stat

Elgin Instant Hand Sanitizer

Enchanted Moments Vanilla Snow Hand Sanitizer

Eo Hand Sanitizer Peppermint

Eo Hand Sanitizer Unscented

Ethanol Absolute Bp

Ethanol Extra Pure

Ethanol, analytical standard

Ethanol, denatured

Ethyl alc

Ethyl alcohol in alcoholic beverages

Everyone Hand Sanitizer Coconut Lemon

Exotic Cherry Blossom Hand Sanitizer

Exotic Cherry Blossom Kit Bodycology

Ezfoam Foaming Alcohol Hand Sanitizer

Fikes Instant Hand Sanitizer

Foam Hand Sanitizer

Forever Hand Sanitizer Hand Sanitizer

Free Hand

Friuts and Flowers Grapefruit Waterless Hand Sanitizer

Frosted Berry Hand Sanitizer

Frosted Cranberry Anti-bacterial Scented Hand Sanitizer

Germ Safe

Goldlove Hand Sanitizer None

Hand and Nature Sanitizer Grapefruit

Hand and Nature Sanitizer Peppermint

Hand Sanitizer Bottle With Carabiner

Hand Sanitizer Sugared Berry

Hand Sanitizer Vanilla Scent

Hand Sanitizing Green Apple

Handi Sani

Handi-sani

Healing Waters Peach Nectarine Hand Sanitizer

Healthy Hands Aloe Instant Hand Antibacterial

Healthy Hands Instant Antiseptic Hand Cleanser

Healthy Hands Instant Antiseptic Hand Cleanser With Moisturizers

Heisclean for Woman

Hes Clean

Husky Instant Hand Sanitizer

Hygiene Master Instant Hand Sanitizer

Instant Foam Hand Sanitizer

Instant Hand Sanitizer Blue Raspberry

Instant Hand Sanitizer Chinese Cherry Blossom

Instant Hand Sanitizer Foam

Instant Hand Sanitizer With Moisturizers Ocean Scented

Jasmine and Green Tea Antibacterial Sanitizer

Justice Mixed Berry Scent Antibacterial Hand Sanitizer

Justice Rhinestone Raspberry Scent Anti-bacterial Hand Sanitizer

Justice Strawberry Scent Anti-bacterial Hand Sanitizer

Kay Alphasan Hand Sanitizer

Kleen Instant Hand Sanitizer With Moisturizers

Kleenex Antiseptic Hand Rub With Moisturizers

Lavender Vanilla Anti-bacterial Hand Sanitizer

Lavender Waterless Hand Wash

Lemon Scented Hand Sanitizer

Lemon Verbena Hand Sanitizer

Letters Lemon Verbena Hand Sanitizer

Lisa Frank Bubblegum Antiseptic Hand Cleansing

Love Hand Sanitizer

Lucky Sanitizing Hand Towels

Mandarin Orange Anti-bacterial Hand Sanitizer

Mango Madness Hand Sanitizer

Mayfair Anti-bacterial Hand Sanitizer

Mcd Hand Sanitizer

Mojito Sun

Naturally Nova Scotia Hand Sanitizer

O Blanctis

One Step Sanitizer

Orchid Antibacterial Vanilla and Apple Blossom

Orchid Sugar Cookie

Passion Fruit Hand Sanitizer

Passion Fruit Kiss

Pc Hansan

PF Hand Sanitizing

Pink Lemonade Hand Sanitizer

Pink Macaroon Hand Sanitizer

Premium Hand Sanitizer Nectarine Mint

Prime-cide

Pro Advantage Instant Hand Sanitizer

Proformance Series Foam Alcohol Hand Sanitizer

Pure Foam

Pure Hands

Purell Advanced Green Certified Instant Hand Sanitizer

Purell Advanced Hand Sanitizer Inspiring Island Getaway

Purell Advanced Hand Sanitizer Moonlit Moments

Purell Advanced Hand Sanitizer Tranquil Sunset

Purell Advanced Hand Sanitizer Warm Fireplace Gathering

Purell Advanced Hand Sanitizer Winter Jubilee

Purell Advanced Hand Sanitizer Winter Wonderland Spice

Purell Advanced Skin Nourishing Instant Hand Sanitizer

Purell Cottony Soft

Purell Sanitizing Hand Wipes

Qsr Hand Sanitizer

Quik Spray

Quik-care

Recens Hand Sanitizer Wipes

Ritz Spritz Mulled Cranberry

Rue Beaute Grapefruit Hand Sanitizer

Rue Beaute Strawberry Hand Sanitizer

Safeway Care Hand Sanitizer

Safeway Instant Hand Sanitizing Wipes

Sani Soft

Sani Wipes

Sani-care

Sani-silk

Sani-soft

Sanisuds Foam Instant Hand Sanitizer

Servo-stat

Spa Originals Instant Hand Sanitizer

Spring Grove Unscented Hand Sanitizer

Stat-foam

Stat-rinse

Sugar Plum

Surgicept Waterless, Surgical Handscrub and Healthcare Personnel Handwash

Sweet Love Hand Sanitizer Bodycology

Sweet Pea

Toasted Vanilla Sugar Kit Bodycology

Vanilla Sugar Hand Sanitizer

Visibly Clean Hand Sanitizer

Warm Vanilla Hand Sanitizer

Waterless Aloe Scented Hand Sanitizer

Waterless Hand Sanitizer Citrus Scent

White Spruce Hand Sanitizer

Wild Strawberry Anti-bacterial Hand Sanitizer

Winning Hands Hand Sanitizer

Xoxo Kit Bodycology

Alcare Or Foamed Antiseptic Handrub

Alcohol, Absolute

ALCOHOL, ANHYDROUS REAGENT

Alcohol, diluted

Amp Instant Hand Sanitizer

Angel Falls Hand Sanitizer

Anti-aging Hand Sanitizer

Anti-bacterial Hand Coconut Cooler

Anti-bacterial Hand Dancing Waters

Anti-bacterial Hand Electric Mango

Anti-bacterial Hand Honeydew Cooler

Anti-bacterial Hand Japanese Cherry Blossom

Anti-bacterial Hand Lemon

Anti-bacterial Hand Pineapple Punch

Anti-bacterial Hand Pumpkin Cupcake

Anti-bacterial Hand Sanitizer Japanese Cherry Blossom

Anti-bacterial Hand Sanitizer Summer Escape

Anti-bacterial Hand Selfie

Anti-bacterial Hand Squad

Anti-bacterial Hand Vanilla Cupcake

Anti-bacterial Hand Winter

Aogel Hand Sanitizer Kids

Apple Blossom Anti-bacterial Hand Sanitizer

Aqua Sunset Hand Sanitizer

Assured Aloe Scented Instant Hand Sanitizer

Avant EX

Blue Paradise Anti-bacterial Hand Sanitizer

Body Luxuries Sweet Lavender Hand Sanitizer

Bodycology Hand Sanitizer Gift Set

Care One Instant Sanitizer

Clean Force Hand Sanitizer

Clear Defense Citrus Sage

Clear Defense Hand Sanitizing Wipes

Clinical Works Ocean Breeze Waterless Hand Sanitizer

Clorox Care Concepts Hand Sanitizer

Cool Clementine Anti-bacterial Scented Hand Sanitizer

Cvs Pharmacy Aloe

Dawnmist Alcohol Gel Hand Sanitizer

Deb Med Instantfoam Hand Sanitizer

Deb Med Instantfoam Optidose Hand Sanitizer

Disney Frozen Berry Scented Antiseptic Hand Cleansing

Enchanted Moments Candy Apple Hand Sanitizer

Enmotion High Frequency Foam Hand Sanitizer

Eo Hand Sanitizer Lavender

Esca Hand Sanitizing Wipes

ethanol-

Ethanol, denatured, Spectrophotometric Grade

Ethyl alcohol usp

Ethyl alcohol, undenatured

Faith Family Ducks Antiseptic Hand Cleansing

Foam Aid

Foamfresh Alco-foam Hand Sanitizer

Fresh Decor Coconut Cream

Fresh Decor Lemon Verbena

Fresh Splash Scented Hand Sanitizer

Frosted Sugar Plum Hand Sanitizer Bodycology

Gbg Aloegel Instant Hand Sanitizer

Ginger Lime Hand Sanitizer

Gingerhead Girl Anti-bacterial Scented Hand Sanitizer

Glitter Ritz Golden Vanilla Embers

Global Clean Instant Hand Sanitizer

Green Apple Hand Sanitizer

Hand and Nature Sanitizer Calendula

Hand and Nature Sanitizer Camellia

Hand and Nature Sanitizer Lavender

Hand and Nature Sanitizer Raspberry

Hand and Nature Sanitizer Rosemary

Hand San

Hand Sanitizer Cds Office Products

Hand Sanitizer Pomegranate Apple With Moisture Beads

Hand Sanitizer W/carabiner

Hand Sanitizing Special Teacher Green Apple

Hand-aid

Healing Waters Aloe Cucumber Hand Sanitizer

Healing Waters Cherry Blossom Scented Waterless Hand Sanitizer

Healing Waters Cotton Blossom Hand Sanitizer

Healing Waters Cucumber Melon Scented Waterless Hand Sanitizer

Healing Waters Lemon Verbena Hand Sanitizer

Health and Beyond Antiseptic Hand Sanitizer

Heisclean for Man

Hello Kitty Hand Sanitizer

Ici Alcohol Hand Sanitizer

Icing Peppermint Candy Anti-bacterial Hand Sanitizer

Ili Hand Sanitizer Instant

Instant Hand Sanitizer Candy Apple

Instant Hand Sanitizer Citrus Scent

Instant Hand Sanitizer Citrus Zest

Instant Hand Sanitizer Gel

Instant Hand Sanitizer Tennder Care

Instant Hand Sanitizer Vanilla Noel

Instant Hand Sanitizer With Moisturizers Aloe Scented

Iso-quin

Jaysol S

Jelly Bean Hand Sanitizer

Justice Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Pineapple Scent Anti-bacterial Hand Sanitizer

Justice Rabbit Strawberry Scent Anti-bacterial Hand Sanitizer

Kindest Kare Foam Antiseptic Handrub With Enhanced Emollients

Kroger Waterless Hand Sanitizer Citrus Scent

Le Techniq Antibacterial Hand Island Citrus

Le Techniq Hand Sanitizer Apple Pomegranate

Lemon Lime Hand Sanitizer

London Hand Sanitizer Vanilla Scent

Lucasol Hand Instant Hand Sanitizer

Mada Hand Sanitizing Wipes

Marvel The Avengers Hand Sanitizer

Med Plus

Medi-pak Performance Instant Hand Sanitizer

Miss Spa

My Little Pony Antibacterial Hand Sanitizer With Moisturizers

Ocean Breeze Scented Hand Sanitizer

Ocean Waterless Hand Wash

Paris Hand Sanitizer Vanilla Scent

Peppermint Ice Anti-bacterial Scented Hand Sanitizer

Perfect Purity Advanced Hand Refreshing Aloe

Piranha Brand Foaming Alcohol Hand Sanitizer

Pure Gel

Purell Advanced Hand Sanitizer Aspen Retreat

Purell Advanced Hand Sanitizer Fresh Peppermint Cheer

Purell Advanced Hand Sanitizer Holiday Spice

Purell Advanced Hand Sanitizer Naturals Gel

Purell Advanced Hand Sanitizer Ultra Nourishing Foam

Purell Advanced Instant Hand Sanitizer Fragrance Free

Raymond Waites Honeysuckle Rose Waterless Anti-bacterial Hand Sanitizer

Recens A

Rite Aid Renewal With Moisturizers

Ru-Tuss Hydrocodone Liquid

Rue21 Doughnut Sprinkles Antibacterial Hand Sanitizer

Rue21 Strawberry Antibacterial Hand Sanitizer

Safeway Care Aloe

Sani Professional Brand Sani-hands

Sani-gel

Sierra Soft Alcohol Hand Sanitizer

Simply Clean Instant Hand Sanitizer

Sj Antibacterial Hand Gel

Smart Sense Aloe

Snappy Apple Scented Hand Sanitizer

Sunshiny Day Scented Hand Sanitizer

Super Suds Anti-bacterial

Sweet Berry Hand Sanitizer

T-chem Antimicrobial Hand

Tampa General Hospital Instant Hand Degermer

Tc Instant Hand Sanitizer

Tecsol C

Tokyo Hand Sanitizer Vanilla Scent

Topcare Vitamin E

Triseptin Hand and Body Antiseptic

Under Paris Hand Sanitizer

Vanilla Cupcake Anti-bacterial Scented Hand Sanitizer

Vanilla Fig Hand Sanitizer

Wegmans Hand Sanitizer Lychee Berry

Wegmans Hand Sanitizer Thai Bamboo

Winter Vanilla Hand Sanitizer None

Wyandotte Sanifect E3

Xtracare Instant Hand Sanitizer Cocoa Butter

Xtracare Sweet Pea Blossom

Zep Instant Hand Sanitizer

Alcohol, ethyl

Alcohol, Grain

Anti-bacterial Hand Beautiful Day

Anti-bacterial Hand Best Friends

Anti-bacterial Hand Boo Ghostly Raspberry

Anti-bacterial Hand Charming Chick Sweet Strawberry

Anti-bacterial Hand Cucumber Mint

Anti-bacterial Hand Elfin Around

Anti-bacterial Hand Firework Fizz

Anti-bacterial Hand Fresh Balsam

Anti-bacterial Hand Gel

Anti-bacterial Hand Georgia Peach

Anti-bacterial Hand Hawaiian Pink Hibiscus

Anti-bacterial Hand Iced White Pomegranate

Anti-bacterial Hand London Cherry Almond Shortbread

Anti-bacterial Hand Magnolias and Mimosas

Anti-bacterial Hand Merry Berry Christmas

Anti-bacterial Hand Merry Cookie

Anti-bacterial Hand Orchard Bloom

Anti-bacterial Hand Orchard Frost

Anti-bacterial Hand Pink Chiffon

Anti-bacterial Hand Pink Prancer

Anti-bacterial Hand Pumpkin Pecan Waffles

Anti-bacterial Hand Shimmer and Champagne

Anti-bacterial Hand South Pacific Sunrise

Anti-bacterial Hand Southern Lemon Chiffon

Anti-bacterial Hand Suncrisp Apple Harvest

Anti-bacterial Hand Sweet Cinnamon Pumpkin

Anti-bacterial Hand White Peach Chardonnay

Berry Sorbet Anti-bacterial Hand Sanitizer

Blanctis Forte II Tooth Whitening

Body Luxuries Cherry Blossom Waterless Anti-bacterial Hand Sanitizer

Body Luxuries Coconut Vanilla Waterless Anti-bacterial Hand Sanitizer

Body Luxuries French Lavender Waterless Anti-bacterial Hand Sanitizer

Body Luxuries Fresh Cotton Hand Sanitizer

Body Luxuries Pineapple Mango Waterless Anti-bacterial Hand Sanitizer

C2H5OH

Coconut Lime Anti-bacterial Hand Sanitizer

Cotton Candy Anti-bacterial Scented Hand Sanitizer

Credit Card Shape Hand Sanitizer

Cvs Pharmacy Hand Sanitizer Aloe

Cvs Pharmacy Instant Hand Sanitizing Wipes

Decon Hand Instant Hand Sanitizer

Dermacen Instant Hand Sanitizer With Aloe

Dignity Health Hand Sanitizer Alcare Plus

Disney Fairies Sweet Berry Scented Antiseptic Hand Cleansing

Disney Minnie Cotton Candy Scented Antiseptic Hand Cleansing

Dr Tichenors First Aid Antispetic

Enbac Skin Antiseptic/sanitizer Contains Aloe Vera

Enchanted Moments Berries and Cream Hand Sanitizer

Eo Hand Sanitizer Lemon

Epi-clenz Instant Hand Antiseptic

Epi-clenz Instant Hand Antiseptic Scented

Essence Of Beauty Citrus Coconuti

Essence Of Beauty Japanese Garden

Essence Of Beauty Vanilla Wishes

Ethanol, technical grade

Ethyl alcohol and water

Ethyl alcohol, anhydrous

Ethyl Alcohol, Denatured

Foam San Hand Sanitizer

Fresh Up Antiseptic Hand

Frosted Berry Hand Sanitizer None

Glitter Ritz Iced Berry

Gum Drop Hand Sanitizer

Hand and Nature Sanitizer Acacia

Hand and Nature Sanitizer Almond

Hand and Nature Sanitizer Avocado

Hand and Nature Sanitizer Jasmine

Hand and Nature Sanitizer Orance

Hand and Nature Sanitizer Tomato

Hand Guard Foaming Instant Hand Sanitizer

Hand Sanitizer Circle K

Hand Sanitizer Sugar Coated Plum

Hand Sanitizer Sweet Sugar Cookie

Hand Sanitizer Winter Jelly Bean

Hand Sanitizer With Aloe

Harmon Face Values Pomegranate Scent Hand Sanitizer

Healing Waters Vanilla Orchid Anti-bacterial Hand Sanitizer

Healing Waters Violet Rose Hand Sanitizer

Health and Beyond Green

Hes Clean Adam

Hes Clean Plus

Icee Blue Raspberry Scented Hand Sanitizer

Instant Hand Sanitizer Aloe Vera

Instant Hand Sanitizer Bubble Gum

Instant Hand Sanitizer Fresh Aloe

Instant Hand Sanitizer Fresh Lemon Scented

Instant Hand Sanitizer Green Apple Scented

Instant Hand Sanitizer Lemon Drop

Instant Hand Sanitizer Sugar Plum

Instant Hand Sanitizer With Aloe

Jasmine Tea and Basil Antibacterial Hand Sanitizer

John Deere Instant Hand Sanitizer

Justice Tucan Strawberry Scent Anti-bacterial Hand Sanitizer

Justice Vanilla Scent Anti-bacterial Hand Sanitizer

Kleenex Moisturizing Hand Sanitizer, Hydrates Skin

Kroger Waterless Hand Sanitizer With Aloe

Le Techniq Aloe

Le Vital Blossom Delight

Le Vital Hidden Passion

Le Vital Japanese Cherry Blossom

Le Vital Vanilla Heaven

Lemon Splash Anti-bacterial Scented Hand Sanitizer

Lemon Verbena Waterless Hand Wash

Letters Ocean Blue Hand Sanitizer

Little Ones Baby Fresh Sanitizer

Love and Beauty Grapefruit Citrus Essence Antibacterial Scented Hand Sanitizer

Lucky Hand Sanitizer Citrus Zest

Mango Papaya Anti-bacterial Scented Hand Sanitizer

One Step Hand Sanitizer

One Step Wipes

Peach Mango Anti-bacterial Hand Sanitizer

Personal Care Hand Sanitizer Aloe

poly(vinyl alcohol) macromolecule

Premium Hand Sanitizer Cucumber Green Tea

Premium Hand Sanitizer With Aloe

Pretty In Paris Hand Sanitizer Bodycology

Prevail White Tea Hand Sanitizer

Purell Advanced Hand Sanitizer Coconut Beach Siesta

Purell Advanced Hand Sanitizer Fresh Peach Blossoms

Purell Advanced Hand Sanitizer Ocean Kiss

Purell Advanced Hand Sanitizer Sprinkled With Love

Purell Advanced Hand Sanitizer Sweet Plum

Purell Advanced Hand Sanitizer Warm Holiday Treats

Quik-care Waterless Antimicrobial Foaming Hand Rub

Rue Beaute Cherry Hand Sanitizer

Rue Beaute Vanilla Cupcake Hand Sanitizer

Rue21 Peppermint Twist Antibacterial Hand Sanitizer

Sani Claw Wipes

Sani-kleen Instant Hand Sanitizer

Santi-gel Instant Hand Sanitizer

Sephora By Opi Moisturizing Hand Sanitizer

Servo Stat-foam

Servo-stat Balm

Smart San Hand Sanitizer

Soft Care Hand Sanitizer

Soft Care Instant Hand Sanitizer

Spirits of wine

Sterile Alcohol Prep Pad

Stoko Gel Instant Hand Sanitizer

Strawberry Shortcake Berry Best Friends Mixed Berry Antiseptic Hand Cleansing

Sunny Day Scented Hand Sanitizer

Sweet Pea Blossom Hand Sanitizer

Sweet Pea Waterless Anti-antibateria Hand Sanitizer

Tork Hand Sanitizer Alcohol Foam

Tork Premium Hand Sanitizer Foam

Tough Guy Instant Hand Sanitizer

Trick Or Treat Antibacterial Hand

Ulta Freshwater Mist Anti-bacterial Hand Sanitizer

Ulta Pomegranate Lime Anti-bacterial Hand Sanitizer

Ulta Sparkling Lemon Anti-bacterial Hand Sanitizer

VANILLA Powder

Vanilla Brown Sugar Scented Hand Sanitizer

Vanilla Cream and Apple Blossom Antibacterial Hand Sanitizer

Vanilla Sugar Anti-bacterial Scented Hand Sanitizer

Viamed Alcohol Prep Pad

Vida Mia Hand Sanitizer

Xtracare Instant Hand Sanitizer Aloe Vera

Zytec Germ Buster Hand Sanitizer

3 Hand Sanitizers

Aethylalkohol [German]

Alco-san Instant Skin Sanitizer

American Continental Techlabs, Llc Instant Hand Sanitizer

Anti-bacterial Hand Black Cherry Merlot

Anti-bacterial Hand Cocoa Mint

Anti-bacterial Hand Coconut Lime Verbena

Anti-bacterial Hand Cool Coconut Colada

Anti-bacterial Hand Fall Lakeside Breeze

Anti-bacterial Hand Fresh Sparkling Snow

Anti-bacterial Hand Gel Caribbean Escape

Anti-bacterial Hand Gel Fresh Picked Strawberries

Anti-bacterial Hand Gel Vanilla Cupcake

Anti-bacterial Hand Give Thanks

Anti-bacterial Hand Harvest Mouse Citrus

Anti-bacterial Hand Hawaii Honolulu Sun

Anti-bacterial Hand Jawesome Sea Breeze

Anti-bacterial Hand Paris Amour

Anti-bacterial Hand Ripe Raspberry Vine

Anti-bacterial Hand Sanitizer Sweet Pea

Anti-bacterial Hand Santa Paws

Anti-bacterial Hand Santa Tizer

Anti-bacterial Hand Savannah Mint Julep

Anti-bacterial Hand Sweet Cinnamon Pumpkin Purrfect Potion

Anti-bacterial Hand Vanilla Berry Sorbet

Antibacterial Hand Sanitizer Basil and Green Tea

Assured Instant Hand Sanitizer With Moisturizers Aloe Vera and Moisturizers

Avant Eco-premium Instant Hand Sanitizer

B4 Hand Sanitizer

Blue Cross Laboratories Hand Rx

Body Blends Apple Attraction Anti-bacterial Hand Sanitizer

Body Blends Citrus Awakening Anti-bacterial Hand Sanitizer

Body Luxuries Strawberry Scented Waterless Anti Bacterial Hand Gel

C2H6O

Cardinal Health Hand Sanitizer With Aloe

Care Bears Cotton Candy Antiseptic Hand Cleansing

CHEMBL545

Chempace Sani-gel Instant Skin Sanitizer

Crisp Apple Hand Sani

Disney Pixar Cars Berry Scented Antiseptic Hand Cleansing

Dots Apple Cinnamon Anti-bacterial Hand Sanitizer

Eo Hand Sanitizer Sweet Orange

Ethanol, silent spirit

Foaming Instant Hand Sanitizer With Aloe

Frosted Berries and Cream Sanitizer Pen

Game Day Msc Mainstreet Collection Hand Sanitizer

Ginger Lime Waterless Hand Wash

Hand and Nature Sanitizer Aloe

Hand and Nature Sanitizer Apple

Hand and Nature Sanitizer Cherry Blossom

Hand and Nature Sanitizer Grape

Hand and Nature Sanitizer Honey

Hand and Nature Sanitizer Kiwi

Hand and Nature Sanitizer Lemon

Hand and Nature Sanitizer Peach

Hand and Nature Sanitizer Peony

Hand and Nature Sanitizer Rose

Hand San Instant Hand Sanitizer

Hand Sanitizer Citrus Coconut With Moisture Beads

Hand Sanitizer Hand Rx

Hand Sanitizer Passion Flower With Moisture Beads

Hand Sanitizing A Plus Teacher Unscented

Harmon Face Values Hand Sanitizer Spray

Healing Waters Cucumber Melon Scented Anti-bacterial Hand Sanitizer

Healing Waters Island Nectar Scented Anti-bacterial Hand Sanitizer

Health and Beyond Instant Hand Sanitizer

Hes Clean Eve

Icee White Cherry Scented Hand Sanitizer

Icing Iced Frosting Anti-bacterial Hand Sanitizer

Ics3 Blue Healthcare Hand Antiseptic

Instant Hand Sanitizer With Shea Butter

Justice Anti Bac Hand Sanitizer

Justice Cactus Vanilla Scent Anti-bacterial Hand Sanitizer

Justice Create Inspire Explore Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Elephant Mango Scent Anti-bacterial Hand Sanitizer

Justice Strawberry Scent Anti Bac Hand Sanitizer

Justice Vanilla Anti Bac Hand Sanitizer

Kindest Kare Air-infused Foam Antiseptic Handrub

Kleenex Hand Sanitizer, Green Certified

LA Mer Hand Sanitizer

Le Techniq Hand Sanitizer Jasmine Basil

Le Vital Berry Kissed

Le Vital Midnight Rush

Love and Beauty Coconut Vanilla Essence Antibacterial Scented Hand Sanitizer

Lucky Instant Hand Sanitizer Citrus Zest

Marvel Ultimate Spider-man Berry Scented Antiseptic Hand Cleansing

Modesa Anti-bacterial Hand Gel

Natural Extensions Fragrance- Free Instant Hand Sanitizer

Nu Skin Epoch

Pretty In Paris Kit Bodycology

Pumpkin Pie Anti-bacterial Scented Hand Sanitizer

Purell Advanced Hand Sanitizer Oven-baked Apples

Purell Advanced Hand Sanitizer Sweet Papaya Mango

Purell Advanced With Aloe Instant Hand Sanitizer

Raymond Waites Gerber Daisy Waterless Anti-bacterial Hand Sanitizer

Reagent Alcohol, reagent grade

Rite Aid Instant Hand Sanitizer

Rite Aid Instant Hand Sanitizer With Moisturizers

Rue21 Cherry Antibacterial Hand Sanitizer

Rue21 Cherry Blossom Antibacterial Hand Sanitizer

Sani-hands Instant Hand Sanitizing Wipes

Saniklean E3 Hand Sanitizer

Smart San Hand Sanitizer Spray

Smart Sense Vitamin E Sanitizer

Soft N Sure Antiseptic

Sukang Alcohol Prep Pads Medium

Susan Winget Mango Orange Hand Sanitizer

Sweet Candy Kiss Sanitizer Pen

Tork Hand Sanitizer Alcohol Gel

Ulta Lavender Woods Anti-bacterial Hand Sanitizer

Ulta Mandarin Mint Anti-bacterial Hand Sanitizer

Ulta Vanilla Sugar Anti-bacterial Hand Sanitizer

Wild Passion Flower Anti-bacterial Hand Sanitizer

Xtracare Hand Sanitizer Moisturize With Vitamin E

3m Avagard Foam

3m Avagard Foaming Instant Hand Antiseptic

3m Avagard Instant Hand Antiseptic With Moisturizers

3p Instant Hand Sanitizer

AC1L19TW

AC1Q31MM

Anti-bacterial Hand A Thousand Wishes

Anti-bacterial Hand Autumn Owl Cranberry Apple

Anti-bacterial Hand Be Joyful

Anti-bacterial Hand Bright Autumn Day

Anti-bacterial Hand Cozy Vanilla Cream

Anti-bacterial Hand Crisp Morning Air

Anti-bacterial Hand French Kiss Berry

Anti-bacterial Hand Fresh Lemon Daisy

Anti-bacterial Hand Fresh Market Apple

Anti-bacterial Hand Gel Mango Madness

Anti-bacterial Hand Gel Pink Lemonade

Anti-bacterial Hand Napa Valley Sunset

Anti-bacterial Hand Perfect Autumn Day

Anti-bacterial Hand Plum Cider Warmth

Anti-bacterial Hand Sanitizer Sugar Lemon Fizz

Anti-bacterial Hand Sweet Pea

Anti-bacterial Hand Tgif Coconut Sugar

Anti-bacterial Hand Vanilla Bean Noel

Anti-bacterial Hand Warm Vanilla Sugar

Anti-bacterial Hand Winter Candy Apple

Antibacterial Hand Polar Mint and Arctic Blast

Antiseptic Hand Gel With Aloe

April Bath and Shower Cucumber Melon Scented Antibacterial Hand Sanitizer

Assured Hand Sanitizer With Aloe Vera

Assured Hand Sanitizer With Vitamin E

Bacti-free Tm Hand Sanitizer

Body Blends Vanilla Sugar Anti-bacterial Hand Sanitizer

Body Luxuries Blueberry Scented Waterless Anti Bacterial Hand Gel

Candy Coated Apple Anti-bacterial Scented Hand Sanitizer

Clean Xpress Alcohol Gel Instant Skin Sanitizer

Cvs Pharmacy Anti-aging Hand Sanitizer

Cvs Pharmacy Instant Hand Sanitizer Fresh Scent

Dots Asian Spice Anti-bacterial Hand Sanitizer

Dr.phi Instant Hand Sanitizer

Epi-clenz Plus Instant Hand Antiseptic

Epi-clenz Plus Instant Hand Sanitizer

Epi-clenz Pure Instant Hand Antiseptic

Essence Of Beauty Snowy Apple

Essence Of Beauty Wind Kissed

Ethanol, anhydrous, denatured

Ethanol, anhydrous, denatured, Spectrophotometric Grade

Ethanol, for residue analysis

Ethylalcohol [Dutch]

Five Photo Brand First Aid Antiseptic

Friuts and Flowers Clean Cotton Waterless Hand Sanitizer

Han-I-foam

Han-I-size

Hand and Nature Sanitizer Apple Mango

Hand E San

Hand Gel Prolim Instant Hand Sanitizer

Hand Sanitizer Moisturizing With Vitamin E and Glycerin

Hand Sanitizer Sun Blossom With Moisture Beads

Hand Sanitizer With Aloe Vera

Hand Sanitizer With Moisturizers and Vitamin E

Healing Water Amber Flower Anti-bacterial Hand Sanitizer

Healing Waters Clean Cotton Scented Anti-bacterial Hand Sanitizer

Hes Clean for Woman

Instant Hand Sanitizer With Vitamin E

Justice Cotton Candy Scent Anti-bacterial Hand Sanitizer

Justice Dance Orange Scent Anti-bacterial Hand Sanitizer

Justice Hamburger Green Apple Scent Anti-bacterial Hand Sanitizer

Justice Tortoise Green Apple Scent Anti-bacterial Hand Sanitizer

Klar and Danver Instant Hand Santizer

LA Bodies Purita Anti-bacterial Hand Sanitizer

Le Vital Dreamy Glow

Microban 80

My Little Pony Grape Antiseptic Hand Cleansing

On Guard Hand Sanitizing Wipe

One Step Hand Sanitizer Aloe

Pdi Alcohol Swabstick Threes and Ones

Pink Grape Fruit Waterless Anti-bacterial Hand Sanitizer

Purell Advanced Hand Sanitizer O Christmas Tree

Purse Essentials Hand Sanitizer Anti-bacterial Hand Berry Sorbet

Purse Essentials Hand Sanitizer Anti-bacterial Hand Vanilla Sugar

Reagent Alcohol, ACS reagent

Rue21 Cotton Candy Antibacterial Hand Sanitizer

Rue21 Midnight Musk Antibacterial Hand Sanitizer

Rue21 Ocean Breeze Antibacterial Hand Sanitizer

Rue21 Posh Antibacterial Hand Sanitizer

Rue21 Sugar Cookie Antibacterial Hand Sanitizer

Rue21 Vanilla Spice Antibacterial Hand Sanitizer

San-E-foam

Sani Professional Brand Sani-hands Instant Hand Sanitizing Wipes

Sani-hands for Kids

SDA 3A

Smart San Hand Sanitizer Spray Fragrenace-free

Soft Care Foam Instant Hand Sanitizer

Soft Care Fragrance Free Instant Hand Sanitizer

Soft N Sure Foamed Antiseptic Handrub

Stoko Gel Free Instant Hand Sanitizer

Sundrops 73

Sweet Pea Anti-bacterial Scented Hand Sanitizer

SY Fresh M

Topcare Jasmine Tea and Basil

Virx Instant Hand Sanitizer With Security Clip

ACMC-1AT5A

Aethanol [German]

Alkoholu etylowego [Polish]

Anti-bacterial Hand Berry Scary Ghoul Friend

Anti-bacterial Hand Candy Cane Bliss

Anti-bacterial Hand Fiji White Sands

Anti-bacterial Hand Gel Candy Apple

Anti-bacterial Hand Gel Cotton Candy

Anti-bacterial Hand Hoot Eerie Pear

Anti-bacterial Hand Oh Snap

Anti-bacterial Hand Red Velvet Cheer

Anti-bacterial Hand Spray Sweet Pea

Anti-bacterial Hand Spray Warm Vanilla Sugar

Anti-bacterial Hand Sunlight and Apple Trees

Anti-bacterial Hand Sweet Peach Tea

Anti-bacterial Hand Twisted Web Creepy Orange

Anti-bacterial Hand Wicked Plum Vampire Blood

Body Luxuries French Lavender Scented Waterless Anti Bacterial Hand Gel

Careone Instant Hand Sanitizer With Moisturizers and Vitamin E

CID702

Clean N Fresh Instant Hand Sanitizer

Cvs Pharmacy With Vitamin E

Dehydrated Alcohol, pharmaceutical secondary standard; traceable to USP

Denatured alcohol CD-5

Denatured alcohol CD-5a

Denatured alcohol SD-1

Denatured alcohol SD-3a

Essence Of Beauty Lilies and Freesia

Essence Of Beauty Sugar Frosted Mint

Etanolo [Italian]

Ethanol, denatured, special

Ethanol, for UV Spectrocopy

Ethyl Alcohol 70 Percent Readyincase

Fresh Decor Basil Green Tea

Hand and Nature Sanitizer Green Tea

Hand and Nature Sanitizer White Musk

Hand-E XL

Harmon Face Values Cherry Blossom Scent Hand Sanitizer

Harmon Face Values Cucumber Melon Scent Hand Sanitizer

Healing Waters Sweet Pea Lily Hand Sanitizer

Healing Waters Sweet Pea Scented Anti-bacterial Hand Sanitizer

Healing Waters White Tea Pear Hand Sanitizer

Health Care Instant Hand Sanitizer Ice Clear

Hello Kitty By Sanrio Hand Sanitizer

Instant Hand Sanitizer Original With Moisturizer and Vitamin E

Instant Hand Sanitizer Unscented With Moisturizer and Vitamin E

Instant Hand Sanitizer With Moisturizers and Vitamin E

Instant Hand Sanitizer With Shea Butter Beads

Justice Bubble Gum Scent Anti-bacterial Hand Sanitizer

Justice Latte Cotton Candy Scent Anti-bacterial Hand Sanitizer

Justice Letter A Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter B Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter C Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter D Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter E Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter G Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter H Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter I Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter J Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter K Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter L Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter M Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter N Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter P Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter R Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter S Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter T Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Vanilla Scent Anti Bac Hand Sanitizer

Le Vital Sweet Pea

Love and Beauty Floral Rose Essence Antibacterial Scented Hand Sanitizer

Love and Beauty Lemon Fresh Essence Antibacterial Scented Hand Sanitizer

Love and Beauty Sweet Berry Essence Antibacterial Scented Hand Sanitizer

Lucky Hand Sanitizer With Aloe Vera

Lucky Hand Sanitizer With Vitamin E

Medi-pak Performance Instant Hand Sanitizer With Aloe

Pdi Sani-hands Instant Hand Sanitizing Wipes

Pure Spring Lemon and Mint

Purell Advanced Hand Sanitizer Grandma S Apple Delight

Purse Essentials Hand Sanitizer Anti-bacterial Hand Wild Passion Flower

Reagent Alcohol, used for histology tissue preparation

Rue21 Apple Spice Antibacterial Hand Sanitizer

Sani Professional Brand Sani-handsinstant Hand Sani Instant Hand Sanitizing Wipes

Sani-professional Sani-hands Made With Tencel

SD 3A

Select Antiseptic Hand Gel With Aloe

Strawberry Antibacterial Hand Sanitizer With Aloe and Vitamin E

Susan Winget Berries and Cream Hand Sanitizer

Take Care Clinic Instant Hand Sanitizer Spray

[OEtH]

2-pack Hand Sanitizer

3 Hand Sanitizers Kit

3 Pack Instant Hand Sanitizer With Moisturizers

3m Avagard D

Alcool ethylique [French]

Alcool etilico [Italian]

Alkohol [German]

Anti-bacterial Hand Gel Apple Pie

Anti-bacterial Hand Gel Sweet Pea

Anti-bacterial Hand Help Me Cranberry Sauce

Anti-bacterial Hand I Love Glitter

Anti-bacterial Hand Italy Tuscan Lemon Tart

Anti-bacterial Hand Ocean for Men

Anti-bacterial Hand Paris Pink Champagne and Tulips

Anti-bacterial Hand Pretty In Pink

Anti-bacterial Hand Tis The Season

Ben E.keith Hand Cleaner

Body Blends Coconut Lime Escape Anti-bacterial Hand Sanitizer

Body Luxuries Dahlia Blossom Scented Waterless Anti Bacterial Hand Gel

Cologne spirits (alcohol)

Cvs Pharmacy Foam Hand Sanitizer With Aloe

Eclair Naturals (vanilla Peppermint) Hand Sanitizer

Ethanol, standard for GC

Ethyl Alcohol 40%

Ethyl Alcohol 70%

Ethyl Alcohol 75%

Ethyl Alcohol 80%

Ethyl Alcohol 90%

Etylowy alkohol [Polish]

Fair and Square Antibacterial Hand Sanitizer With Vitamine E

Good To Go Hand Sanitizer

GTPL2299

Hand Sanitizer Lemon Scent Hand Rx

Hand Sanitizer With Moisturizers Vitamin E and Aloe

Harris Teeter Hand Sanitizer With Vitamin E

Heb Jasmine Tea and Basil

HSDB 82

Instant Hand Sanitizer - Original

Instant Hand Sanitizer - Strawberry Scented

Instant Hand Sanitizer Extra Enriched With Vitamin E Strawberry Scent

Instant Hand Sanitizer With Moisturizers All In One

Justice Bff Cotton Candy Scent Anti-bacterial Hand Sanitizer

Justice Fruit Scent Anti Bac Hand Sanitizer

Justice Grape Scent Anti Bac Hand Sanitizer

Justice Mermaid Mix Berry Scent Anti-bacterial Hand Sanitizer

Justice Mixed Berry Anti Bac Hand Sanitizer

Justice Pop Corn Vanilla Scent Anti-bacterial Hand Sanitizer

KSC353A0H

Lavender Antibacterial Hand Sanitizer With Aloe and Vitamin E

Lucky Instant Hand Cleanser With Aloe Vera

Lucky Instant Hand Cleanser With Vitamin E

Lucky Instant Hand Sanitizer With Aloe Vera

Lucky Instant Hand Sanitizer With Vitamin E

Lucky Instant Hand Sanitizer With Vitamin E and Moisturizers

Pdi Sani-handsinstant Hand Sani Instant Hand Sanitizing Wipes

Purell Advanced E3 Rated Instant Hand Sanitizer

Reagent Alcohol, for HPLC

Rite Aid Renewal Moisturizers and Vitamin E

Sani-hands II Instant Hand Sanitizing Wipes

Smart San Es Hand Sanitizer Spray

Whiskcare 373

Whiskcare 375

3 Pack Instant Hand Sanitizer With Moisturizers Lavender Scented

6869AF

Alcohol (ethyl alcohol)

Alcohol (USP)

Alcohol [USP]

Alpha E-3

Aniosgel 85 Npc

Anti-bacterial Hand I Donut Care

Anti-bacterial Hand Need A Hand Starbright Citrus

Anti-bacterial Hand Snow Day Ice Blizzard

Apple Antibacterial Hand Sanitizer With Aloe and Vitamin E

April Bath and Shower Sweet Pea Scented Antibacterial Hand Sanitizer

April Bath and Shower Warm Vanilla Sugar Scented Antibacterial Hand Sanitizer

Assured Instant Hand Sanitizer With Moisturizers Vitamin E and Aloe

Avant Original - Fragrance Free

Body Luxuries English Pear Scented Waterless Anti Bacterial Hand Gel

Body Luxuries Lotus Flower Scented Waterless Anti Bacterial Hand Gel

Body Raves Antibacterial Hand Sanitizer - Lavender Vanilla

CDA 19

Cvs Pharmacy Instant Hand Sanitizer With Moisturizers and Vitamin E

Dehydrated ethanol (TN)

Denatured alcohol CD-10

Denatured alcohol SD-13a

Denatured alcohol SD-17

Denatured alcohol SD-23a

Denatured alcohol SD-28

Denatured alcohol SD-30

Denatured alcohol SD-39b

Denatured alcohol SD-39c

Denatured alcohol SD-40m

Enmotion Foam Hand Sanitizer W-moisturizers, Fragrance Free

Ethanol [JAN]

Ethyl alcohol (Ethanol)

Ethyl Alcohol 70 Percent

Fair and Square Antibacterial Hand Sanitizer With Aloe Vera

Family Dollar Instant Hand Sanitizer With Moisturizers and Vitamin E

Harmon Face Values Warm Vanilla Sugar Scent Hand Sanitizer

IMS 99

Instant Hand Sanitizer - Vanilla Scented

Justice Cotton Candy Scent Anti Bac Hand Sanitizer

Justice Mixed Berry Scent Anti Bac Hand Sanitizer

Justice Puppy Love Cotton Candy Scent Anti-bacterial Hand Sanitizer

Kroger Waterless Hand Sanitizer Citrus Scent With Moisturizers and Vitamin E

Le Vital Moon To Light

Rue21 Ocean Anti-bacterial Hand Sanitizer

Sani Professional Brand Sani-hands With Tencel Instant Hand Sanitizing Wipes

Stoko Refresh 4in1 Instant Hand Sanitizer

Virx Instant Hand Sanitizer With Moisturizers and Vitamin E

Whiskcare 375 Fragrance Free

100C.NPA

3 Pack Family Dollar Instant Hand Sanitizers

Alcohols, C30

Aloe Scent A B Hand Sanitizing

Alpet E3 Plus Hand Sanitizer Spray

Anti-bacterial Hand Jingle All The Way

Anti-bacterial Hand New York Big Apple Sparkler

Bd E-Z Care

Body Raves Antibacterial Hand Sanitizer - Wild Strawberry

CCRIS 945

Chemco Anisha K. Instant Skin Sanitizer

CTK2F3003

Duplicating Fluid 100C.NPA

E1510

E7023_ALDRICH

E7148_ALDRICH

Eclair Naturals (french Lavender) Hand Sanitizer

Esumiru WK 88

Ethanol 200 proof

Facility Maintenance Instant Hand Sanitizer Hs-67

HMDB00108

I Love Ny Hand Sanitizer Vanilla Scent

Instant Hand Sanitizer - Clear

Instant Hand Sanitizer Extra Enriched With Vitamin E Bead Strawberry Scent

Instant Hand Sanitizer Extra Enriched With Vitamin E Vanilla Scent

Isagel B-I-B

Justice Blue Berry Scent Anti Bac Hand Sanitizer

Ke-53ps Hand Sanitizer

Love and Beauty Peach Mango Anti-bacterial Hand Sanitizer

Northside Hospital Amenity Kit--gi Dept

Ocean Breeze Antibacterial Hand Sanitizer With Aloe and Vitamin E

Out Of The Blue Scented Hand Sanitizer

Pier 1 Imports Blueberry Parfait Anti-bacterial Hand Sanitizer

Pier 1 Imports Lavender Anti-bacterial Hand Sanitizer

Purell Advanced E3 Rated Instant Hand Sanitizer Foam

Rue21 Island Fruits Anti-bacterial Hand Sanitizer

SD Alchol 23-hydrogen

SD alcohol 23-hydrogen

Symmetry Hand Sanitizer With Aloe and Vitamin E

Well At Walgreens Advanced Hand Sanitizer With Vitamin E

Whole Health Hand Sanitizers 3-pack

WLN: Q2

Xtracare Hand Sanitizer Moisurize With Vitamin E and Aloe

3 Pack Instant Hand Sanitizer With Moisturizers Aloe Scented

Alcohol Determination-Alcohol, United States Pharmacopeia (USP) Reference Standard

All Fresh By Alsco Instant Mist Hand Sanitizer

Alpha E-3 Instant Hand Sanitizer

Amoray Premium Instant Hand Sanitizer With Aloe and Vitamin E Strawberry

Anti-bacterial Hand Meet Me In Paris

Careone Instant Hand Sanitizer With Aloe and Vitamin E

Citrus Hand Sanitizer With Vitamin E and Aloe

DB00898

E2385_SIGMA

E7517_SIGMA

Endure 300 Hand Sanitizer

Endure 450 Surgical and Healthcare Personnel Hand Antiseptic With Moisturizers

Ethanol, Alcohol Reagent, anhydrous, denatured

Ethyl Alcohol Absolute, ACS/USP Grade

First Aid Plus More Alcohol Prep Pad

Instant Hand Sanitizer - Cocoa Butter

Instant Hand Sanitizer With Aloe and Vitamin E

Kroger Waterless Hand Sanitizer With Aloe With Moisturizers and Vitamin E

Le Vital Wake Me Up

Marvel Iron Man 3 Hand Sanitizer

NSC85228

Pdi Alcohol Prep Pad Large and Medium

Pdi Alcohol Prep Pad Sterile Large and Medium

Pdi Sani-hands Alc Antimicrobial Alcohol Gel Hand Wipes

Pier 1 Imports Cherry Anti-bacterial Hand Sanitizer

Reagent Alcohol, 70%

Reagent Alcohol, 80%

Reagent Alcohol, 95%

RL04444

Rue21 Coco Breeze Anti-bacterial Hand Sanitizer

Sani Professional Brand Sani-hands for Kids Instant Hand Sanitizing Wipes

Symmetry Foaming Hand Sanitizer With Aloe and Vitamin E

Ultra Care-aid Sanitizer Antiseptic Hand Sanitizer Citric Fragrance With Aloe Vera

Vanilla Hand Sanitizer With Vitamin E and Aloe

2858_SIGMA

ALCOHOL 5% AND DEXTROSE 5%

Amoray Premium Instant Hand Sanitizer With Aloe and Vitamin E Lavender

Amoray Premium Instant Hand Sanitizer With Aloe and Vitamin E Original

Anti-bacterial Hand Ooh LA LA French Blooms

Anti-bacterial Hand Sanitizer 2 Pack Blue Sunshiny Scented

Anti-bacterial Hand Sanitizer 2 Pack Splash Apple Scented

Berry Hand Sanitizer With Vitamin E and Aloe

bmse000297

C00469

D00068

Dehydrated Alcohol, United States Pharmacopeia (USP) Reference Standard

DSSTox_CID_584

E7023_SIAL

E7148_SIAL

Endure 320 Advanced Care Waterless Antimicrobial Hand Rinse With Moisturizers

Ethanol (9CI)

Ethanol, denatured 1L

Fresh Hand Sanitizer With Vitamin E and Aloe

Hand Sanitizer Gift Set 3-pack

Handy Solutions Instant Hand Sanitizer With Aloe and Vitamin E

Harris Teeter Hand Sanitizer With Vitamin E and Aloe

Husky 515 Instant Hand Sanitizer

Instant Hand Sanitizer - Ice Clear

Instant Hand Sanitizer Extra Enriched With Vitamin E Bead Vanilla Scent

Instant Hand Sanitizer Extra Enriched With Vitamin E Lemon Fresh Scent

Ke-53ps Gel Hand Sanitizer

LTBB002977

Mellow Instant Hand Sanitizer With Aloe and Vitamin E

nchembio.94-comp20

Pier 1 Imports Crisp Bamboo Anti-bacterial Hand Sanitizer

Pier 1 Imports Ginger Peach Anti-bacterial Hand Sanitizer

Pier 1 Imports Lily Blossom Anti-bacterial Hand Sanitizer

Pier 1 Imports Passion Fruit Anti-bacterial Hand Sanitizer

Pier 1 Imports Sugared Plum Anti-bacterial Hand Sanitizer

Pier 1 Imports Vanilla Mint Anti-bacterial Hand Sanitizer

Rue 21 Legend Blueberry Anti Bacterial Hand Sanitizer

Rue 21 Paris Creamsicle Anti Bacterial Hand Sanitizer

Rue 21 Young Strawberry Anti Bacterial Hand Sanitizer

Symmetry Foaming Hand Sanitizer Fragrance Free With Aloe and Vitamin E

Symmetry Foaming Hand Sanitizer-fragrance Free With Aloe and Vitamin E

Triton Hs-777

Up and Up Alcohol Prep Pad

24102_RIEDEL

24103_RIEDEL

24105_RIEDEL

24106_RIEDEL

24194_RIEDEL

32205_RIEDEL

32221_RIEDEL

32294_RIEDEL

34963_RIEDEL

40210_ALDRICH

40210_RIEDEL

48075_SUPELCO

AHD 2000

Aire-master Sanitizer Gel Vit E/a

ALCOHOL 5% IN DEXTROSE 5%

Alcohol, United States Pharmacopeia (USP) Reference Standard

Anhydrol PM 4085

Anhydrous ethanol (JP17)

Antibacterial Hand Gift Set Icy Mint and Candy Cane

Antiseptic Hand Sanitizing Wipe Enriched With Vitamin E and Aloe Vera

Cvs Pharmacy Instant Hand Sanitizer With Aloe and Vitamin E

DAP000681

DTXSID9020584

Easy To Break-off Cleaning and Disinfecting Swabstick Jjb-I

Ethanol, anhydrous, denatured, HPLC Grade

Ethyl Alcohol Absolute (Organic) USP Grade

FEMA Number 2419

Health and Beyond Instant Hand Sanitizer Twin Pack Twin Pack

Instant Hand Sanitizer (gel-type)

Instant Hand Sanitizer Original With Aloe Vera and Vitamin E

Instant Hand Sanitizer With Moisturizers (aloe Vera and Moisturizers)

Love and Beauty Melon and Mint Anti-bacterial Hand Sanitizer

LS-1539

nchem.651-comp3c

OR034186

OR208849

OR242365

OR245565

OR271134

OR369097

Pdi Sani-hands for Kids Antimicrobial Alcohol Gel Hand Wipes

Pier 1 Imports Iced Cookie Anti-bacterial Hand Sanitizer

Purell Instant Hand Sanitizer Foam (ethyl Alcohol)

Rue 21 Apple Anti Bacterial Hand Sanitizer

Rue21 Runway 21 Antibacterial Hand Sanitizer

STL264245

The Fresh Market Hand Sanitizer With Moisturizers Aloe and Vitamin E

UN 1170

02483_FLUKA

02851_FLUKA

02853_FLUKA

02854_FLUKA

02855_FLUKA

02856_FLUKA

02856_SIAL

02857_FLUKA

02857_SIAL

02858_FLUKA

02858_SIAL

02860_FLUKA

02865_FLUKA

02865_SIAL

02870_FLUKA

02870_SIAL

02875_FLUKA

02877_FLUKA

02878_FLUKA

02882_FLUKA

02882_SIAL

02883_FLUKA

02884_FLUKA

02890_FLUKA

02890_SIAL

02891_FLUKA

02891_SIAL

24102_SIAL

24103_SIAL

24105_SIAL

24106_SIAL

24194_SIAL

29221_FLUKA

32205_SIAL

32221_SIAL

32294_SIAL

34870_SIAL

39278_FLUKA

41322_FLUKA

ALCOHOL 10% AND DEXTROSE 5%

Alcohol dehydrated, >=85.0%

Alcohol, pharmaceutical secondary standard: traceable to USP, PhEur

Alcohols, C1-3

Alcohols, C6-9

Anti-bacterial Hand Sanitizer 2 Pack Blue Day Scented

Anti-bacterial Hand Sanitizer 3 Pack Blue Day Scented

Antibacterial Hand - Witchs Brew and Scaredy Cat

CHEBI:16236

CHEBI:17246

D000431

Enmotion Hand Sanitizer With Moisturizers, Fragrance Free, Dye Free

Ethyl Alcohol 47.5%

Ethyl Alcohol 95% ACS/USP Grade

Ethyl Alcohol Absolute (Synthetic) ACS/USP Grade

ETHYL, 2-HYDROXY-

Fatty Alcohol C8-10

Hand and Nature Sanitizer Peach 250ml

Instant Hand Sanitizer Extra Enriched With Vitamin E Bead Lemon Fresh Scent

Janitech Jan-HS-40 Instant Hand Sanitizer

Just 4 Girl Waterless Anti Bacterial Hand Sanitizer Berry Blast

My Instant Hand Sanitizer With Aloe and Vitamin E

nchembio.552-comp10

NCI-C03134

Ru-Tuss Expectorant (Salt/Mix)

Rue 21 Fallen Vixen Anti Bacterial Hand Sanitizer

Rue 21 Queen Cherry Anti Bacterial Hand Sanitizer

Rue 21 Sugar Cookie Anti Bacterial Hand Sanitizer

United Laboratories 464 Pump and Protect Alcohol Hand Sanitizer

(C6-C9)Alkyl alcohol

187380_ALDRICH

245119_ALDRICH

270741_ALDRICH

277649_ALDRICH

3K9958V90M

458600_ALDRICH

459828_ALDRICH

459836_ALDRICH

493538_ALDRICH

493546_ALDRICH

Amoray Premium Instant Hand Sanitizer With Aloe and Vitamin E Fresh Citrus

AN-41865

Anti-bacterial Hand Sanitizer 3 Pack 2

ANW-42207

DSSTox_GSID_20584

Ethanol, >=99.5%

Ethanol, technical grade, 93%

Ethanol, technical grade, 99%

Ethyl alcohol & water, 5%

Health Smart Instant Hand Sanitizer With Aloe Vera and Vitamin E

Health Smart Instant Hand Sanitizer With Aloe Vera and Vitamin E Lavender

Ihs 2000 Instant Hand Sanitizer

Mini Hand Sanitizer - Coconut and Lime

Mini Hand Sanitizer - Orange and Lemon

NSC 85228

NSC-85228

Rue 21 Asian Spice Anti-bacterial Hand Sanitizer

Rue 21 Love Cherry Blossom Anti Bacterial Hand Sanitizer

SC-25298

SDA 40-2

The Amazing Spider-man Hand Sanitizer Moisturizing With Vitamin E and Aloe

187380_SIAL

245119_SIAL

270741_SIAL

277649_SIAL

458600_SIAL

459828_SIAL

459836_SIAL

459844_SIAL

493511_SIAL

493538_SIAL

493546_SIAL

676829_SIAL

ALCOHOL 5% IN D5-W

Caswell No. 430

DSSTox_RID_75674

Endure 300 Cida Rinse Gel Antimicrobial Hand Rinse

Ethanol, 99.8%

Ethanol, tested according to Ph.Eur.

Hand Sanitizer Lil Drug Store Products, Inc.

MFCD00003568

Pier 1 Imports Melon and Mint Anti-bacterial Hand Sanitizer

SDM No. 37

ZINC12358605

[CH2Me(OH)]

AI3-01706

Ethanol, UV HPLC spectroscopic, 95%

Ethyl alcohol & water, 10%

Ethyl alcohol & water, 20%

Ethyl alcohol & water, 30%

Ethyl alcohol & water, 40%

Ethyl alcohol & water, 50%

Ethyl alcohol & water, 60%

Ethyl alcohol & water, 70%

Ethyl alcohol & water, 80%

Ethyl alcohol & water, 95%

Ethyl alcohol & water, 96%

Health Smart Instant Hand Sanitizer With Aloe Vera and Vitamin E Cucumber Melon

Health Smart Instant Hand Sanitizer With Aloe Vera and Vitamin E Peach

Instant Hand Sanitizer With Moisturizers (vitamin E and Aloe)

Pacific Garden Foam Hand Sanitizer, Fragrance Free, Dye Free

RTR-022011

Ru-Tuss Liquid (Salt/Mix)

Rue 21 Free Spirit Fresh Flowers Anti Bacterial Hand Sanitizer

TR-022011

UNII-3K9958V90M

AKOS009104571

EPA Pesticide Chemical Code 001501

Justice Love Hugs Me and You Cotton Candy Scent Anti-bacterial Hand Sanitizer

Reagent Alcohol, 70%, used for histology tissue preparation

Reagent Alcohol, 80%, used for histology tissue preparation

Reagent Alcohol, 95%, Used for histology tissue preparation

CDA 19-200

Ethanol, >50% in a non hazardous diluent

Ethanol, Reagent (Denatured SDA 3A)

Ethyl Alcohol 95% (Synthetic) FCC Grade

FEMA No. 2419

FT-0622588

FT-0625728

Health Smart Instant Hand Sanitizer With Aloe Vera and Vitamin E Sweet Pea

Pier 1 Imports Lavender Vanilla Anti-bacterial Hand Sanitizer Pier 1 Imports

Rue 21 Dream Dance Love Vanilla Spice Anti Bacterial Hand Sanitizer

64-17-5

B4 Hand Sanitizer 500 Single-use Packs

Ethanol, >=99.5%, suitable for fluorescence

Ethanol, denatured, (UK IDA standard)

I14-12648

Orchid By H E B Jasmine Tea and Basil

Vida Mia Hand Sanitizer (62%)

3 Pack Assured Instant Hand Sanitizer With Moisturizers (aloe Vera and Moisturizers)

A.B.H.C. Instant Hand Sanitizer Citrus Scent

Ethanol, >=99.5%, suitable for absorption spectrum analysis

Ethanol, technical grade, 93.8%

Ethanol, technical grade, 99.5%

Tox21_202510

3 Pack Assured Instant Hand Sanitizer With Moisturizers (vitamin E and Moisturizers) Lavender Scented

Ethyl Alcohol 95% (Grain Derived) FCC Grade

Ethyl Alcohol 95% (Synthetic) ACS/USP Grade

CAS-64-17-5

Ethanol, USP, 99.5%

Ethyl alcohol (6CI,7CI,8CI)

Reagent Alcohol, anhydrous, <=0.003% water

Reagent Alcohol, anhydrous, <=0.005% water

8000-16-6

8024-45-1

Ethanol, >=99.5%, for HPLC

Ethanol, JIS special grade, >=99.5%

Ethyl alcohol, Pure, 200 proof, HPLC/spectrophotometric grade

MCULE-8818474596

NCGC00091458-01

NCGC00091458-02

NCGC00260059-01

Vida Mia Hand Sanitizer Aloe Vera (62%)

2 Pack Assured Instant Hand Sanitizer With Moisturizers (vitamin E and Aloe)

7-11 Instant Hand Sanitizer With Aloe and Vitamin E

EINECS 200-578-6

EINECS 270-649-4

Ethanol, >=99.5%, SAJ super special grade

Ethanol, SAJ first grade, >=99.5%

68475-56-9

71076-86-3

71329-38-9

Ethanol solution, certified reference material, 2000 mug/mL in methanol

113-EP0930075A1

113-EP1441224A2

113-EP2269610A2

113-EP2269977A2

113-EP2269978A2

113-EP2269983A1

113-EP2269984A1

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2 Pack Assured Instant Hand Sanitizer With Moisturizers (vitamin E and Aloe) Lemon Scented

3 Pack Assured Instant Hand Sanitizer With Moisturizers (vitamin E and Aloe) Lemon Scented

Ethyl alcohol, Pure, 190 proof, meets USP testing specifications

Ethyl alcohol, Pure, 200 proof, meets USP testing specifications

SR-01000944357

Vida Mia Hand Sanitizer (70% V/v)

121182-78-3

Ethanol, absolute, for HPLC, >=99.8%

Ethyl Alcohol Absolute (Dehydrated) USP, BP/EP, JP Grade

Ethyl alcohol, Pure, 190 proof, for molecular biology

Ethyl alcohol, Pure, 200 proof, for molecular biology

SDM No. 37 (Salt/Mix)

Specially Denatured Alcohol, 190 proof, SDA 3C, contains Isopropanol

Specially Denatured Alcohol, 200 proof, SDA 3C, contains Isopropanol

1037-EP2269996A1

1037-EP2270002A1

1037-EP2270006A1

1037-EP2272848A1

1037-EP2274983A1

1037-EP2275411A2

1037-EP2277565A2

1037-EP2277566A2

1037-EP2277567A1

1037-EP2277568A2

1037-EP2277569A2

1037-EP2277570A2

1037-EP2277862A2

1037-EP2277866A1

1037-EP2277867A2

1037-EP2280003A2

1037-EP2280008A2

1037-EP2280010A2

1037-EP2281563A1

1037-EP2284160A1

1037-EP2284169A1

1037-EP2284172A1

1037-EP2287152A2

1037-EP2287160A1

1037-EP2287161A1

1037-EP2287162A1

1037-EP2289868A1

1037-EP2289893A1

1037-EP2292227A2

1037-EP2292280A1

1037-EP2295055A2

1037-EP2295402A2

1037-EP2295408A1

1037-EP2295410A1

1037-EP2295416A2

1037-EP2295437A1

1037-EP2295439A1

1037-EP2298734A2

1037-EP2298735A1

1037-EP2298748A2

1037-EP2298770A1

1037-EP2298775A1

1037-EP2301939A1

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1037-EP2316834A1

1037-EP2316835A1

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1037-EP2374454A1

4260-EP2269977A2

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4260-EP2380874A2

MolPort-001-785-844

Specially Denatured Alcohol, 190 proof, SDA 3A, contains Methanol

Specially Denatured Alcohol, 200 proof, SDA 3A, contains Methanol

Ethanol, 95.1-96.9%

Ethanol, absolute, >=99.8% (GC)

28147-EP2277868A1

28147-EP2277869A1

28147-EP2277870A1

28147-EP2295422A2

28147-EP2298305A1

28147-EP2298769A1

28147-EP2308852A1

28147-EP2308878A2

28147-EP2313400A1

28147-EP2371823A1

48516-EP2311824A1

48516-EP2311828A1

48516-EP2380568A1

Ethanol, p.a., 99.8%

Specially Denatured Alcohol, 190 proof, SDA 39C, contains Diethyl phthalate

Specially Denatured Alcohol, 200 proof, SDA 39C, contains Diethyl phthalate

Vida Mia Hand Sanitizer Aloe Vera (70% V/v)

Ethanol Fixative 80% v/v, suitable for fixing solution (blood films)

Ethanol, p.a., ACS reagent, 96%

Ethyl Alcohol Absolute (Dehydrated, Synthetic) USP, BP/EP, JP Grade

Specially Denatured Alcohol, 190 proof, SDA 23A, contains Acetone

Specially Denatured Alcohol, 190 proof, SDA 30, contains Methanol

Specially Denatured Alcohol, 200 proof, SDA 23A, contains Acetone

Specially Denatured Alcohol, 200 proof, SDA 30, contains Methanol

Specially Denatured Alcohol, 190 proof, SDA 35A, contains Ethyl acetate

Specially Denatured Alcohol, 200 proof, SDA 35A, contains Ethyl acetate

SR-01000944357-1

Ethanol, >10 - 24% in a non hazardous diluent

Ethanol, >24 - 50% in a non hazardous diluent

Ethanol, absolute, semiconductor grade PURANAL(TM) (Honeywell 17826)

Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains Heptanes

Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains Heptanes

Ethanol, technical grade, 92.6-93.8

Specially Denatured Alcohol, 190 proof, SDA 2B-3, contains Toluene

Specially Denatured Alcohol, 200 proof, SDA 2B-3, contains Toluene

Ethanol Calibration Kit, ampule of 10 x 1.2 mL, certified reference material

Ethanol, denatured (5 % IPA, 5 % n-propylacetate)

Ethanol, USP, 70.0-72.0%

Ethanol, USP, 94.9-96.0%

Specially Denatured Alcohol, 190 proof, SDA 40B, contains tert-Butyl alcohol and denatonium benzoate

Specially Denatured Alcohol, 200 proof, SDA 40B, contains tert-Butyl alcohol and denatonium benzoate

Ethanol, absolute, for gradient elution, sales not in Germany, >=99.9%

Ethanol, p.a., ACS reagent, 95.0%

ETHYL, 1-HYDROXY-(6CI,7CI,8CI,9CI)

ETHAN-2,2,2-D3-OL (9CI)

Ethanol, ACS reagent, 99.8, 200 proof

Ethanol, JIS special grade, 94.8-95.8%

Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains n-Heptane

Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains n-Heptane

Ethanol, 95.0%, (190 proof)

Ethanol, JIS first grade, 94.8-95.8%

Specially Denatured Alcohol, 190 proof, SDA 2B-5, contains n-Hexane

Specially Denatured Alcohol, 200 proof, SDA 2B-5, contains n-Hexane

Ethyl alcohol, Pure, 140 proof, Excise Tax-free, Permit for use required

Ethyl alcohol, Pure, 160 proof, Excise Tax-free, Permit for use required

Ethanol-water solutions, NIST(R) SRM(R) 1828b, six levels

Ethanol, absolute, >=99.8% (GC), sales not in Germany

Ethyl alcohol, Pure, 190 proof, ACS spectrophotometric grade, 95.0%

Ethyl alcohol, Pure, 200 proof, anhydrous, >=99.5%

InChI=1/C2H6O/c1-2-3/h3H,2H2,1H

Ethanol solution, EP, BP, 69.5-70.4%

Ethanol, suitable for 300 per JIS, >=99.5%, for residue analysis

Ethyl alcohol, Pure, 200 proof, ACS reagent, >=99.5%

Ethanol solution, NIST(R) SRM(R) 2897a, nominal mass fraction 2%

Ethanol solution, NIST(R) SRM(R) 2898a, nominal mass fraction 6%

Ethanol, suitable for 1000 per JIS, >=99.5%, for residue analysis

Ethyl alcohol, Pure, 140 proof, meets water USP testing specifications, Excise Tax-free, Permit for use required

Ethanol, puriss. p.a., absolute, >=99.8% (GC)

Ethanol solution, NIST(R) SRM(R) 2899a, nominal 25% by mass

Ethanol, absolute, for HPLC, sales not in Germany1, >=99.8% (GC)

Ethanol-water solution, NIST(R) SRM(R) 2894, nominal mass fraction 0.1%

Ethanol-water solution, NIST(R) SRM(R) 2895, nominal mass fraction 0.2%

Ethanol-water solution, NIST(R) SRM(R) 2896, nominal mass fraction 0.3%

Ethyl alcohol, Pure, 190 proof, ACS reagent, meets USP testing specifications, Excise Tax-free, Permit for use required

Ethyl alcohol, Pure, 200 proof, ACS reagent, meets USP testing specifications, Excise Tax-free, Permit for use required

Ethanol, puriss., meets analytical specification of Ph.??Eur., BP, 96% (v/v)

Ethanol-water solution, NIST(R) SRM(R) 2891, nominal mass fraction 0.02%

Ethanol-water solution, NIST(R) SRM(R) 2892, nominal mass fraction 0.04%

Ethanol-water solution, NIST(R) SRM(R) 2893, nominal mass fraction 0.08%

1E37B0D2-6209-4B03-A57D-500F3223C2DA

Ethanol-water solution, NIST(R) SRM(R) 2900, nominal 95.6% by mass

Ethanol, BioUltra, for molecular biology, >=99.8%, (absolute alcohol, without additive, A15 o1)

Ethanol, puriss., meets analytical specification of Ph.??Eur., BP, 96.0-97.2%

Ethanol standards 10% (v/v), 10 % (v/v) in H2O, analytical standard

Ethanol-80, 80 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material

Ethanol, purum, absolute ethanol, denaturated with 1% cyclohexane, A15 CYCLO1, >=99.8% (based on denaturant-free substance)

Ethanol, purum, fine spirit, denaturated with 4.8% methanol, F25 METHYL1, ~96% (based on denaturant-free substance)

Ethanol, puriss. p.a., ACS reagent, prima fine spirit, without additive, F15 o1, ~96%

Ethanol, purum, fine spirit, denaturated with 2% 2-butanone, F25 MEK1, ~96% (based on denaturant-free substance)

Ethanol, puriss. p.a., ACS reagent, absolute alcohol, without additive, A15 o1, >=99.8%

Ethanol, purum, absolute ethanol, denaturated with 4.8% isopropanol, A15 IPA1, >=99.8% (based on denaturant-free substance)

Ethanol-25, 25 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-40, 40 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-50, 50 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-80, 80 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol, purum, absolute ethanol, denaturated with 2% 2-butanone, A15 MEK1, >=99.8% (based on denaturant-free substance)

Ethanol-10, 10 mg/dL in H2O, pack of 10 x 1.2 mL ampules, certified reference material

Ethanol-150, 150 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-300, 300 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-500, 500 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.9%

Ethanol, absolute, semiconductor grade PURANAL(TM) (Honeywell 17833), sales not in Germany, >=99.8% (vol.)

Ethanol-20 (5 ampules/kit), 20 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material

Ethanol-100 (5 ampules/kit), 100 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material

Ethanol-200 (5 ampules/kit), 200 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material

Ethanol-400 (5 ampules/kit), 400 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material

Ethanol, puriss., over molecular sieve (H2O <=0.01%), absolute alcohol, without additive, A15 o1, >=99.8%

Ethanol, absolute, reag. ISO, reag. Ph. Eur., >=99.8% (GC), liquid (clear, colorless)

Ethanol, purum, secunda spirit, denaturated with 2% 2-butanone and 0.5% 4-methyl-2-pentanone, S15, ~96% (based on denaturant-free substance)

Ethanol-20 (10 ampules/kit), 20 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-100 (10 ampules/kit), 100 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-200 (10 ampules/kit), 200 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-400 (10 ampules/kit), 400 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Specially Denatured Alcohol, 190 proof, SDA 40 (40-2), contains 0.14 % (v/v) tert-Butyl alcohol and Brucine sulfate

Specially Denatured Alcohol, 200 proof, SDA 40 (40-2), contains 0.14 % (v/v) tert-Butyl alcohol and Brucine sulfate

Ethanol, absolute, denaturated with 0.5-1.5 Vol.% 2-butanone and approx. 0.001% Bitrex (GC), >=98% (GC)

IUPAC name

ethanol

SMILES

CCO

Inchi

InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

Formula

CH₃CH₂OH

PubChem ID

702

Molweight

46.069

LogP

-0.16

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

The Henry's Law constant for ethanol is 5X10-6 atm-cu m/mole(SRC)(1). This Henry's Law constant indicates that ethanol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 39 days(SRC). Ethanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of ethanol from dry soil surfaces may exist(SRC) based upon an extrapolated vapor pressure of 59.3 mm Hg(3).
Literature: (1) Gaffney JS et al; Environ Sci Technol 21: 519-23 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)

Soil Adsorption

A log Koc of 0.44 has been reported for ethanol(2), corresponding to a Koc of 2.75(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethanol is expected to have very high mobility in soil. Ethanol leaching was measured using a shallow sand and gravel test aquifer in Merrick Co, central Platte Valley, Nebraska which was subjected to a pulse containing 220 mg/L ethanol and 12 mg/L bromide and monitored for 2.5 months. Transport was not retarded. An average first-order decay constant was estimated of be 0.32/day, corresponding to a half-life of 2.2 days(3). A sorption coefficient on a snow surface was reported as log K = -3.04 (cu m snow surface/sq m air) at -6.8 deg C(4).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Zhang Y et al; J Contam Hydrol 82: 183-194 (2006) (4) Roth CM et al; Environ Sci Technol 38: 4078-4084 (2004)

Vapor Pressure

Pressure	Reference
59.3 mm Hg at 25 deg C /Extrapolated/	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 6129 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 21058

1D-NMR-Links

1D NMR Spectrum 1148 - Bruker 400 MHz 13C NMR

1D NMR Spectrum 1087 - Varian 600 MHz 1H NMR

1D NMR Spectrum 4986

1D NMR Spectrum 4985

1D NMR Spectrum 2559 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 3257 - Varian 25.16 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Bacteria	Arthrobacter Agilis UMCV2	na	rhizosphere of maize plants	VelÃ¡zquez-Becerra et al.,2011
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Enterobacter Cloacae	n/a		Arnold and Senter, 1998
Bacteria	Escherichia Coli	n/a		Bunge et al., 2008
Bacteria	Klebsiella Pneumoniae	n/a		Arnold and Senter, 1998
Bacteria	L Isteria Monocytogenes	n/a		Arnold and Senter, 1998
Bacteria	Lactobacillus Fermentum LSL 205	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Pseudomonas Simiae AU	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al., 2016
Bacteria	Salmonella Enterica	n/a		Bunge et al., 2008
Bacteria	Salmonella Enteritidis	n/a		Arnold and Senter, 1998
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Shigella Flexneri	n/a		Bunge et al., 2008
Bacteria	Staphylococcus Aureus	n/a		Jia et al., 2010
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Fungi	Aerobasidium Pullulans	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Aspergillus Fumigatus Strain FGSC A1163			Heddergott et al. 2014
Fungi	Boletus Variegatus	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008
Fungi	Ceratocystis Fagacearum			Lin and Phelan 1992
Fungi	Ceratocystis Sp.	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Fomes Sp.	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Fusarium Sp			Pierce et al. 1991
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011
Fungi	Muscodor Crispans	n/a		Mitchell et al., 2010
Fungi	Neurospora Sitophila ATCC 46892	n/a		Pastore et al.,1994
Fungi	Neurospora Sp.	n/a		Pastore et al., 1994
Fungi	Ogataea Pini	na	mycangia of Dendroctonus brevicomis	Davis et al., 2011
Fungi	Penicillium Aurantiogriseum	n/a		Boerjesson et al., 1990
Fungi	Penicillium Camemberti			Larsen 1998
Fungi	Penicillium Caseifulvum			Larsen 1998
Fungi	Penicillium Corymbiferum			Pierce et al. 1991
Fungi	Phoma Sp.	n/a		Strobel et al., 2014
Fungi	Saccharomyces Cerevisiae	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Saccharomyces Cerevisiae CR1	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Scolulariopsis Brevicaulis			Pierce et al. 1991
Fungi	Thielaviopsis Basicola	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Trichoderma Sp.	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Trichoderma Viride	n/a		Hung et al., 2013
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Bacteria	Arthrobacter Agilis UMCV2	LB medium	SPME-GC/MS	No
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Enterobacter Cloacae		HS-SPME/GC-MS
Bacteria	Escherichia Coli	n/a	n/a
Bacteria	Klebsiella Pneumoniae	TS broth	HS-SPME/GC-MS
Bacteria	L Isteria Monocytogenes		HS-SPME/GC-MS
Bacteria	Lactobacillus Fermentum LSL 205	curd-based broth medium	GC/MS	Yes
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Pseudomonas Simiae AU	Nutrient broth; King's B agar	GC/MS	No
Bacteria	Salmonella Enterica	n/a	n/a
Bacteria	Salmonella Enteritidis		HS-SPME/GC-MS
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Shigella Flexneri	n/a	n/a
Bacteria	Staphylococcus Aureus	Mueller Hinton broth	HS-SPME/GC-MS
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Fungi	Aerobasidium Pullulans	n/a	n/a
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Aspergillus Fumigatus Strain FGSC A1163	Brian`s broth, AMM, RPMI 1657	SPME / GC-MS
Fungi	Boletus Variegatus	n/a	n/a
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Fungi	Candida Tropicalis	n/a	n/a
Fungi	Ceratocystis Fagacearum			no
Fungi	Ceratocystis Sp.	n/a	n/a
Fungi	Fomes Sp.	n/a	n/a
Fungi	Fusarium Sp		GC-FID	yes
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/GC-MS
Fungi	Muscodor Crispans	potato dextrose agar	SPME-GC-MS
Fungi	Neurospora Sitophila ATCC 46892	Malt extract	Headspace/gas chromatography
Fungi	Neurospora Sp.	potato dextrose agar	dynamic headspace/gas chromatography
Fungi	Ogataea Pini	MEA	GC/MS
Fungi	Penicillium Aurantiogriseum	n/a	n/a
Fungi	Penicillium Camemberti			no
Fungi	Penicillium Caseifulvum			no
Fungi	Penicillium Corymbiferum		GC-FID	yes
Fungi	Phoma Sp.	n/a	Solid phase microextraction (SPME)
Fungi	Saccharomyces Cerevisiae	n/a	n/a
Fungi	Saccharomyces Cerevisiae CR1	YEPDA	GC/MS	no
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Scolulariopsis Brevicaulis		GC-FID	yes
Fungi	Thielaviopsis Basicola	n/a	n/a
Fungi	Trichodema Pseudokoningii	Malt extract/Low medium	GC/MS
Fungi	Trichodema Viride	Malt extract/Low medium	GC/MS
Fungi	Trichoderma Sp.	n/a	n/a
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS

Phthalic Acid

Mass-Spectra

Compound Details

Synonymous names

BENZENEDICARBOXYLICACID

Naphthalinate

o-Benzenedicarboxylate

PHTHALICACID

Alizarinate

Phthalinate

Naphthalinic acid

o-benzenedicarboxylic acid

o-Carboxybenzoate

o-dicarboxybenzene

Orthophthalic acid

XNGIFLGASWRNHJ-UHFFFAOYSA-N

Acide phtalique

Alizarinic acid

Kyselina ftalova

Phthalinic acid

phthals

Pathalic acid

phthalic acid

o-Carboxybenzoic acid

Pathalc acd

phthalsäure

ortho-phthalic acid

4kww

AC1L1AJQ

AC1Q1HCJ

Phthalate standard for IC

Phthalic acid, analytical standard

o-phthalic acid

1,2-benzenedicarboxylic acid

3,4-benzenedicarboxylic acid

CHEMBL1045

PHTHALIC ACID, ACS

SCHEMBL1808

Sunftal 20

Acide phtalique [French]

Kyselina ftalova [Czech]

s164

ACMC-209qya

NSC5348

6O7F7IX66E

H2983

HMDB02107

P0287

WLN: QVR BVQ

ZINC90750

benzene-1,2-dicarboxylic acid

DB02746

Phthalic acid, ~99%

RP22870

bmse000391

C01606

CCRIS 1446

HMS3039E17

HMS3604J03

HSDB 1339

Phthalic acid, European Pharmacopoeia (EP) Reference Standard

UNII-6O7F7IX66E

AK116685

BBL023724

DTXSID8021484

LS-1890

NSC 5348

NSC-5348

OR025173

OR183112

OR253495

OR331083

SBB058481

STL168879

benzene-1,2-dioic acid

CHEBI:29069

DSSTox_CID_1484

Phthalic acid, United States Pharmacopeia (USP) Reference Standard

AB1002491

AC-14464

AJ-10847

AN-20569

AN-24158

ANW-39200

BP-21159

DSSTox_GSID_21484

KB-59631

SC-67693

SC-74953

BDBM50080272

DSSTox_RID_76178

MFCD00002467

PHTHALIC ACID (CARBOXYL-13C)

AI3-02409

RTR-027988

ST24031536

ST50192167

AKOS000118898

I01-7091

J-523870

Phthalic acid, 99.5%

Phthalic acid, reagent grade, 98%

Z57127456

BRN 0608199

FT-0622644

MLS002152931

SMR001224528

88-99-3

1,2-Propylene glycol, bis(isooctyl phthalate)

Tox21_200915

3B1-008717

F3110-2832

CAS-88-99-3

4401-64-3

MCULE-4747891013

NCGC00090869-01

NCGC00090869-02

NCGC00258469-01

Phthalic acid, ACS reagent, >=99.5%

EINECS 201-873-2

Phthalic acid, SAJ special grade, >=99.0%

Phthalic acid, SAJ first grade, >=99.0%

Phthalic acid, Vetec(TM) reagent grade, 98%

1,2-Benzenedicarboxylic acid, 1-methyl-1,2-ethanediyl diisooctyl ester

MolPort-000-690-820

21176-EP2269988A2

21176-EP2270008A1

21176-EP2275413A1

21176-EP2284165A1

21176-EP2284178A2

21176-EP2284179A2

21176-EP2287156A1

21176-EP2292597A1

21176-EP2292617A1

21176-EP2295406A1

21176-EP2295438A1

21176-EP2298731A1

21176-EP2301924A1

21176-EP2301940A1

21176-EP2305219A1

21176-EP2305248A1

21176-EP2305663A1

21176-EP2305672A1

21176-EP2311807A1

21176-EP2311815A1

21176-EP2311824A1

21176-EP2314295A1

21176-EP2371805A1

21176-EP2374780A1

21176-EP2374781A1

21176-EP2374895A1

AB-131/40237186

827-27-0 (mono-hydrochloride salt)

10197-71-4 (hydrochloride salt)

877-24-7 (mono-potassium salt)

29801-94-3 (potassium salt)

15968-01-1 (di-hydrochloride salt)

4409-98-7 (di-potassium salt)

5793-85-1 (mono-calcium salt)

15656-86-7 (mono-barium salt)

33227-10-0 (mono-Ru salt)

4-09-00-03167 (Beilstein Handbook Reference)

Phthalic acid, ACS, 99.5% min. 100g

Phthalic acid, puriss. p.a., >=99.5% (T)

6838-85-3 (mono-lead(2+) salt)

InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12

IUPAC name

phthalic acid

SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)O

Inchi

InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)

Formula

C₆H₄(COOH)₂

PubChem ID

1017

Molweight

166.132

LogP

1.29

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Benzenoids Acids carboxylic acids

mVOC Specific Details

Volatilization

The Henry's Law constant for phthalic acid is estimated as 2X10-11 atm-cu m/mole(SRC) derived from its vapor pressure, 6.36X10-7 mm Hg(1), and water solubility, 6965 mg/L(2). This Henry's Law constant indicates that phthalic acid is expected to be essentially nonvolatile from water surfaces(3). Phthalic acid's Henry's Law constant indicates that volatilization from moist soil surfaces will not occur(SRC). Phthalic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical And Thermodynamic Properties of Pure Chemicals: Data Compilation, Supplement 1 (1991) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 456 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc values were determined for an acidic forest soil (Podzol, 4.85% organic carbon, pH 2.8), an agricultural soil (Alfisol, 1.25% organic carbon, pH 6.7) and a sublimnic soil (sediment from Lake Constance, Germany, 1.58% organic carbon, pH 7.1) as 31, 2 and 2, respectively(1). According to a classification scheme(2), these Koc values suggest that phthalic acid is expected to have very high mobility in soil. Phthalic acid adsorbs strongly to aluminum and iron oxides via a surface ligand exchange reaction(3). Adsorptivity is sensitive to pH; for aluminum oxide the fraction absorbed is >0.8 below pH 6 and falls below 0.1 above pH 7.5(3).
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Ainsworth CC et al; pp 125-44 in Sorption and Degradation of Pesticides in Soil Sci Soc Spec Publ 32 (1993)

Vapor Pressure

Pressure	Reference
6.36X10-7 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 5728 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

MS-MS Spectrum 201840

MS-MS Spectrum 2005 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5725 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 5726 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 5727 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 5729 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative

MS-MS Spectrum 2006 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2004 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Pseudomonas Putida BP25	na	black pepper root	Sheoran et al., 2015
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Fungi	Lentinula Edodes	na	na	Ã‡aÄŸlarÄ±rmak et al., 2007
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
N/a	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004
Bacteria	Pseudomonas Simiae AU	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al., 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Pseudomonas Putida BP25	Luria Bertani Agar	Solvent extraction with hexane, GC/MS	No
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Fungi	Lentinula Edodes	na	GC/MS	No
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
N/a	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Pseudomonas Simiae AU	Nutrient broth; King's B agar	GC/MS	No

2-methylpropan-1-ol

Mass-Spectra

Compound Details

Synonymous names

Isopropylcarbinol

isobutylalcohol

Isobutylalkohol

Alcool isobutylique

Isobutanol

1-Hydroxymethylpropane

Fermentation butyl alcohol

Isobutanol, Spectrophotometric Grade

Isobutyl alcohol|

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

ISOBUTYL ALCOHOL

NATURAL ISOBUTYL ALCOHOL

2-methylpropanoI

2-Methylpropanol

Butanol-iso

IBl

iso butanol

iso-butanol

Isobutanol or isobutyl alcohol

i-Butanol

Isobutyl Alcohol Reagent ACS

2-Methylpropyl alcohol

5OZ

AC1L1MSV

AC1Q1PQD

Iso-butyl alcohol

i-Butyl alcohol

Isobutylalkohol [Czech]

2-Methyl propanol

2-methyl-propanol

Isobutanol, HPLC Grade

Alcool isobutylique [French]

2-Methylpropanol-1

iso-C4H9OH

Isobutyl alcohol (natural)

HSDB 49

Isobutyl Alcohol (Fragrance Grade)

KSC377G2F

UNII-WB09NY83YA component ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

2-methyl-l-propanol

ACMC-209pff

NSC5708

UN1212

56F9Z98TEM

CTK2H7322

HMDB06006

I0094

Z1849

2-Methyl-1-propanol

2-Methylpropan-1-ol

ACT03408

BIDD:ER0628

CHEMBL269630

Methyl-2 propanol-1

RL05045

2-methyl-1-propanyl alcohol

C14710

CCRIS 2300

LTBB002055

RCRA waste number U140

UNII-56F9Z98TEM

DTXSID0021759

FEMA Number 2179

LS-1756

NSC 5708

NSC-5708

OR000149

OR250242

OR328314

Propanol, 2-methyl-

UN 1212

WLN: Q1Y1&1

2-Methyl-1-propanol, analytical standard

CHEBI:46645

DSSTox_CID_1759

PROPOXY, 2-METHYL-

ZINC1687155

2-methyl-propan-1-ol

AN-42121

ANW-37225

CJ-27908

DSSTox_GSID_21759

KB-25207

TRA0023784

DSSTox_RID_76310

LMFA05000100

MFCD00004740

ZINC01687155

AI3-01777

RTR-025160

TR-025160

AKOS000118740

J-509912

RCRA waste no. U140

1-Propanol, 2-methyl-

BRN 1730878

FEMA No. 2179

FT-0627343

78-83-1

I14-19788

Z955123524

Tox21_201214

Alcohols, C8-13-iso-

F0001-2058

Isobutyl alcohol, ACS reagent, >=99.0%

2-Methyl-1-propanol, 99%

CAS-78-83-1

Isobutyl alcohol, >=99%, FCC, FG

MCULE-6294327194

NCGC00091851-01

NCGC00091851-02

NCGC00258766-01

2-Methyl-1-propanol, United States Pharmacopeia (USP) Reference Standard

EINECS 201-148-0

EINECS 273-552-5

68989-27-5

821-EP2269986A1

821-EP2274983A1

821-EP2284157A1

821-EP2287152A2

821-EP2305825A1

821-EP2308857A1

821-EP2380568A1

Isobutyl alcohol, natural, >=99%, FCC, FG

Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]

2-Methyl-1-propanol, 99.5%

2-Methyl-1-propanol, LR, >=99%

MolPort-001-785-833

2-Methyl-1-propanol, AR, 99%

2-Methyl-1-propanol, ACS spectrophotometric grade, >=99.0%

28287-EP2270012A1

28287-EP2270013A1

28287-EP2272849A1

28287-EP2275423A1

28287-EP2280005A1

28287-EP2289509A2

28287-EP2289884A1

28287-EP2289892A1

28287-EP2292576A2

28287-EP2292613A1

28287-EP2295424A1

28287-EP2298313A1

28287-EP2298751A2

28287-EP2301919A1

28287-EP2305033A1

28287-EP2305254A1

28287-EP2305625A1

28287-EP2305647A1

28287-EP2305681A1

28287-EP2305825A1

28287-EP2308849A1

28287-EP2308850A1

28287-EP2308864A1

28287-EP2311801A1

28287-EP2311802A1

28287-EP2311803A1

28287-EP2311821A1

28287-EP2311838A1

28287-EP2314577A1

28287-EP2371814A1

28287-EP2374780A1

28287-EP2374781A1

28287-EP2377844A2

45218-EP2292616A1

45218-EP2311821A1

74956-EP2275411A2

74956-EP2275414A1

74956-EP2281821A1

74956-EP2298763A1

74956-EP2305254A1

74956-EP2305667A2

74956-EP2308838A1

74956-EP2374780A1

74956-EP2374781A1

2-Methyl-1-propanol, anhydrous, 99.5%

Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]

13259-29-5 (hydrochloride salt)

3453-79-0 (aluminum salt)

2-Methyl-1-propanol, ACS reagent, >=99.0%

2-Methyl-1-propanol, JIS special grade, >=99.0%

2-Methyl-1-propanol, for HPLC, 99.5%

2-Methyl-1-propanol, SAJ first grade, >=99.0%

4-01-00-01588 (Beilstein Handbook Reference)

Isobutanol, ACS, 99.0% min. 500ml

2-Methyl-1-propanol, reag. ISO, 99%, UV HPLC spectroscopic

7425-80-1 (titanium(+4) salt)

2-Methyl-1-propanol, BioUltra, for molecular biology, >=99.5% (GC)

2-Methyl-1-propanol, p.a., ACS reagent, 99.0%

2-Methyl-1-propanol, puriss. p.a., ACS reagent, >=99.5% (GC)

InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H

2-Methyl-1-propanol, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99% (GC)

IUPAC name

2-methylpropan-1-ol

SMILES

CC(C)CO

Inchi

InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

Formula

(CH₃)₂CHCH₂OH

PubChem ID

6560

Molweight

74.123

LogP

0.73

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

The Henry's Law constant for isobutyl alcohol is 9.78X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that isobutyl alcohol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.3 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 27 days(SRC). Isobutyl alcohol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isobutyl alcohol is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 10.4 mm Hg at 25 deg C(3).
Literature: (1) Snider JR, Dawson; J Geophys Res 90: 3797-3805 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobutyl alcohol can be estimated to be 2.9(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobutyl alcohol is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 10, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
10.4 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011
Fungi	Muscodor Crispans		Wild pineapple plant, Ananas ananassoides	Mitchell et al., 2010
Fungi	Phoma Sp.	n/a		Strobel et al., 2014
Fungi	Phomopsis Sp.	na	endophyte of Odontoglossum sp.	Singh et al., 2011
Fungi	Penicillium Glabrum		compost	Fischer et al. 2054
Bacteria	Enterobacter Cloacae SM 639	na	ubiquitary,intestinal	Schoeller et al., 1997
Bacteria	Mycobacterium Bovis	n/a		MCNerney et al., 2014
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 6445	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Bacteria	Thermomonospora Fusca DSM 43792	na	soil	Wilkins, 1996
Fungi	Aspergillus Candidus		compost	Fischer et al. 2054
Fungi	Aspergillus Versicolor Tiraboschi	na	damp indoor environments, food products	Sunesson et al., 1995
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Fungi	Geotrichium Candidum			SchnÃ¼rer et al. 1999
Fungi	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al 1991
Fungi	Paecilomyces Variotii		compost	Fischer et al. 2054
Fungi	Paecilomyces Variotii Bain	na	compost, soils, food products	Sunesson et al., 1995
Fungi	Penicillium Aurantiogriseum	n/a		Boerjesson et al., 1990
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Roqueforti			SchnÃ¼rer et al. 1999
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Rhizoctonia Solani AG2-2 IIIB		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	n/a	Prof. MattiaProf. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Indicum	n/a		Splivallo et al., 2007
Fungi	Tuber Melanosporum	n/a		Splivallo et al., 2007
Fungi	Xylaria Sp.	phytotoxic on the seed germination, root elongation and seedling respiration of Am. Hypochondriacus and S. lycopersicum	Haematoxylon brasiletto, Morelos, Mexico	SÃ¡nchez-Ortiz et al., 2016
Fungi	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2012
Fungi	Ampelomyces Sp. F-a-3	na	na	Naznin et al., 2014
Fungi	Phoma Sp. GS8-3	na	na	Naznin et al., 2014
Bacteria	Actinomycetes Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Leuconostoc Lactis CIRM1451	na	cow cheese	PogaÄiÄ‡ et al., 2016
Fungi	Aspergillus Fumigatus		compost	Fischer et al. 2054
Fungi	Emericella Nidulans		compost	Fischer et al. 2054
Fungi	Penicillium Brevicompactum		compost	Fischer et al. 2054
Fungi	Penicillium Clavigerum		compost	Fischer et al. 2054
Fungi	Penicillium Crustosum		compost	Fischer et al. 2054
Fungi	Penicillium Cyclopium		compost	Fischer et al. 2054
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Lactobacillus Casei NCIB 8010	n/a		Tracey and Britz, 1989
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a		Tracey and Britz, 1989
Bacteria	Lactococcus Lactis DSM 20202	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Cremoris DSM 20346	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos B66	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 19	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 30	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 36	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 37D	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 7B	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20252	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20255	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20257	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos Lc5x	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a		Tracey and Britz, 1989
Bacteria	Pediococcus Damnosus DSM 20331	n/a		Tracey and Britz, 1989
Fungi	Alternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)		DSMZ	Weikl et al. 2016
Fungi	Boletus Variegatus	Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Chalaropsis Thielaviodes			Collins 1960
Fungi	Fomes Sp.	Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Saccharomyces Cerevisiae	Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/GC-MS
Fungi	Muscodor Crispans	potato dextrose agar	SPME-GC-MS	Yes
Fungi	Phoma Sp.	n/a	Solid phase microextraction (SPME)
Fungi	Phomopsis Sp.	PDA medium	SPME-GC/MS	Yes
Fungi	Penicillium Glabrum	yest extract sucrose	Tenax/GC-MS	no
Bacteria	Enterobacter Cloacae SM 639	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Mycobacterium Bovis	Loewenstein-Jensen media	Headspace analyze / SIFT-MS and TD-GC-MS.
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Streptomyces Albidoflavus AMI 246	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus CBS 659.68	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus ETH 22014	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 13387	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 28832	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor ATCC 21666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor DSM 40233	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes ETH 18822	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes IFO 13814	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus IFO 13849	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hirsutus ETH 1666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus NRRL 8171	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Olivaceus ETH 6445	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Olivaceus ETH 7437	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Rishiriensis AMI 224	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Fungi	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aspergillus Versicolor Tiraboschi	DG18	GC/MS
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Fungi	Geotrichium Candidum	malt extract agar with 0.5-1.0% acetic acid,Aspergillus flavus and parasiticus agar (AFPA),dichloran rose bengal yeast extract sucrose agar (DRYES)	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Fungi	Paecilomyces Variotii	yest extract sucrose	Tenax/GC-MS	no
Fungi	Paecilomyces Variotii Bain	DG18,MEA	GC/MS
Fungi	Penicillium Aurantiogriseum	n/a	n/a
Fungi	Penicillium Commune Pitt	DG18	GC/MS
Fungi	Penicillium Roqueforti	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Rhizoctonia Solani AG2-2 IIIB	Potato Dextrose Agar1	Tenax TA / TDGC-MS	yes
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Trichodema Pseudokoningii	Malt extract/Low medium	GC/MS
Fungi	Trichodema Viride	Low medium	GC/MS
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Indicum	n/a	n/a
Fungi	Tuber Melanosporum	n/a	n/a
Fungi	Xylaria Sp.	PDA medium	SPME-GC/MS	Yes
Fungi	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Fungi	Ampelomyces Sp. F-a-3	na	SPME-GC/MS	No
Fungi	Phoma Sp. GS8-3	na	SPME-GC/MS	No
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Leuconostoc Lactis CIRM1451	curd-based broth medium	GC/MS	Yes
Fungi	Aspergillus Fumigatus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Brevicompactum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Crustosum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Cyclopium	yest extract sucrose	Tenax/GC-MS	no
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Lactobacillus Casei NCIB 8010	n/a	n/a
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a	n/a
Bacteria	Lactococcus Lactis DSM 20202	n/a	n/a
Bacteria	Leuconostoc Cremoris DSM 20346	n/a	n/a
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a	n/a
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a	n/a
Bacteria	Leuconostoc Oenos B66	n/a	n/a
Bacteria	Leuconostoc Oenos 19	n/a	n/a
Bacteria	Leuconostoc Oenos 30	n/a	n/a
Bacteria	Leuconostoc Oenos 36	n/a	n/a
Bacteria	Leuconostoc Oenos 37D	n/a	n/a
Bacteria	Leuconostoc Oenos 7B	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20252	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20255	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20257	n/a	n/a
Bacteria	Leuconostoc Oenos Lc5x	n/a	n/a
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a	n/a
Bacteria	Pediococcus Damnosus DSM 20331	n/a	n/a
Fungi	Alternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)	malt extract agar	SBSE-GC-MS	no
Fungi	Boletus Variegatus	n/a	n/a
Fungi	Chalaropsis Thielaviodes			no
Fungi	Fomes Sp.	n/a	n/a
Fungi	Saccharomyces Cerevisiae	n/a	n/a
Fungi	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no

Propan-2-ol

Mass-Spectra

Compound Details

Synonymous names

Dimethylcarbinol

Germstaroriginal

isopropylalcohol

Isopropylalkohol

Recovered Isopropanol

Agropharma Isopropyl Alcohol

Alcool isopropilico

Alcool isopropylique

isopropanol

Isopropenol

Isopropyl Alcohol Antiseptic

Isopropyl Alcohol Antiseptic Germicide

Isopropyl Alcohol Swabsticks

Medichoice Alcohol Swabstick

Takineocol

Wintergreen Isopropyl Alcohol

Alcohol Swabstick

Alcohol Swabsticks Singles

Alcosolve

Alkolave

Aplicare Isopropyl Alcohol

Avantine

Divas Wintergreen

Germstar Original Unscented

Goodsense Alcohol

Hartosol

Incontrol Alcohol

iso-propylalcohol

Iso-propylalkohol

Isopropryl alcohol

isopropyl

Isopropyl alcohol

Isopropyl Alcohol Swabstick Sterile

Isopropyl Alcohol Towelette

Isopropyl-alcohol

KFZMGEQAYNKOFK-UHFFFAOYSA-N

Medimaxx

Petrohol

Spectrar

Sterisol hand disinfectant

Acetone Alcohol Swabsticks Singles

acetone isopropyl alcohol

Alcohol Sterile

Alcojel

Alcolo

Antiseptic Swab

Avantin

Comfort

Freshnails The Undernail Sanitizer

Healthcare Plus

i-propylalcohol

i-Propylalkohol

Isohol

Isopropyl Alcohol With Wintergreen

Isopropyl Rubbing Alcohol

Isopropyl Rubbing Alcohol With Wintergreen

Lavaco

Lavacol

Lutosol

Medline Alcohol Swabstick Triples

Propol

Rubbing alcohol

Sterile Alcohol

Sunmark Isopropyl Rubbing Alcohol

Tinted Isopropyl Alcohol

Virahol

Walgreen Alcohol

2propanol

Alcohol Hand Sanitizer Problend

Alcool Isopropylique A Friction

Allure Isopropyl Rubbing Alcohol

Allure Isopropyl Rubbing Alcohol With Wintergreen

Curad Isopropyl Alcohol

Divas

Family Wellness Sterile Alcohol

Handy Solutions Rubbing Alcohol

iPrOH

Iris

Isopropanol ACS reagent

Isopropanol or isopropyl alcohol

Isopropyl Alcohol Sepp

Isopropyl Alcohol Surgical Scrub

Isopropyl Alcohol Swabs

Jianze Alcohol

Medichoice Antiseptic Isopropyl Alcohol Prep Pads

Paraid Alcohol

Procutane Gel

Publix Alcohol

Starcap Medical Private Limited

Wearable Dispenser Cartridge Scs

2-Hydroxypropane

Alcohol Hand Problend

Alcohol Pad

Alcohol Prep

Alcohol Rub

Alcohol Wipe

Arquad DMCB

Assured Alcohol Cleansing Pad

Cardinalhealth Alcohol Prep Pads Large

Cardinalhealth Alcohol Prep Pads Medium

Combi-schutz

Coralite Alcohol Pads

Easytouch Alcohol Prep Pads Nonsterile

Friction Rub

IOH

ISO-PROPANOL

Isopropyl Winter Green Rubbing Alcohol

Leader Isopropyl Alcohol Wipes

Lens Cleaner

Medpride With Wintergreen Oil

Seatex Hand Sanitizer

sec-Propanol

Shopko Alcohol Swabs

Touchland Refeel Kub Cartridge

1-Methylethanol

2-propylalcohol

Alcohol Cotton Ball

Alcohol Extra-thick

Alcohol Swab Sticks

Alko Isol

Amsure Alcohol Prep

Certus Alcohol Prep

Full Care Alcohol Swabsticks

Good Care Isopropyl Alcohol

Good Neighbor Pharmacy Alcohol Antiseptic Skin Cleanser

Good Neighbor Pharmacy Isopropyl Alcohol Wipes

i-Propanol

Iso-propyl alcohol

Isopropyl Alcohol

Isopropyl Alcohol Prep Swab

Isopropyl Rubbing Alcohol With Wintergreen Oil

Medline Alcohol Prep Medium

Mk Alcohol Swabstick Sterile

North Alcohol Wipe

Oido Sana

Rexall Alcohol Prep

Royal Alcohol Cleansing Pads

sec-Propyl alcohol

Touchland Kub2go Hand Sanitizer Strawberry

Western Family Alcohol Swabs

1-Methylethyl alcohol

AC1L1GOQ

AC1Q1QDY

Alcohol Prep Pads

Auro-dri

Bay Rum Constanza

Cal Stat

Caretouch Alcohol Prep Pad

Cvs Alcohol Prep

Dermorapid: Colourless and Coloured

Dupont Relyon Antiseptic Hand Wipes

Easytouch Alcohol Prep Pads Sterile

i-Propyl alcohol

Imsol A

Isopro First Aid

Isopropyl Alcohol Prep Pad

Isopropyl Alcohol Prep Pad Sterile

Isopropyl Alcohol Reagent Grade ACS

Isopropyl alcohol, rubbing

Mckesson Alcohol Prep Pad

Medpride Sterile Prep Pads

Pharmacist Choice Alcohol Prep Pad

Protector Alcohol Prep Pad

Smart Sense Isopropyl Alcohol Wipes

Sterile Alcohol Prep Pads

Swim-ear

Touchland Kub2go Hand Sanitizer Lavender

Touchland Kub2go Hand Sanitizer Neutral

Touchland Kub2go Hand Sanitizer Vanilla

2-Propanol

Acetone Alcohol Prep Pads Medium

Alcohol Prep Pad Medium

Alcohol Prep Pads Lightweight Non-sterile

Alcosolve 2

First Aid Only Isopropyl Alcohol

Green Guard Sterile Alcohol Pads

Hyvee Alcohol Prep Pads

i-PrOH

Iso-blu Alcohol

Isopropanol (Recovered)

Isopropanol 99%

Isopropyl Alcohol 50 Percent Wintergreen Readyincase

Isopropyl Alcohol 70 Percent Wintergreen Readyincase

Pharmacist Choice Alcohol Sterile Prep Pad

propan-2ol

propane-2ol

propanol-2

Sanitizer - Assainissant

Touchland Kub2go Hand Sanitizer Citrus

2-Propanol, Spectrophotometric Grade

Cal Stat Plus Antiseptic Handrub With Enhanced Emollients

CHEMBL582

Curad Alcohol Prep Pads Medium

Dukal Alcohol Prep Pad

Dukal Sterile Alcohol Prep Pad

Gauke Alcohol Prep Pad

Good Care Alcohol Pad

Isopropyl Alcohol 50 Percent Readyincase

Isopropyl Alcohol 70 Percent Readyincase

Isopropyl Alcohol 70 Percent Wintergreen

Isopropyl Alcohol 91 Percent Readyincase

ISOPROPYL ALCOHOL, ACS

Isopropyl Rubbing Alcohol Lil Drug Store Products

Jianze Alcohol Prep Pad Medium

Labsco Sterile Alcohol Prep Pad

Medi-first Sterile Alcohol Pads

Omnis Health Alcohol Prep Pads

Sure Comfort Alcohol Prep Pads

Touchland Kub2go Hand Sanitizer Mint

2-Propyl alcohol

50% Rubbing

70% Isopropyl Rubbing Alcohol

70% Rubbing

Alcool isopropilico [Italian]

Alcool isopropylique [French]

Curad Alcohol Sterile, Large

Curad Alcohol Sterile, Thick

Isopropyl Alcohol 99%

Isopropyl Alcohol C+

Isopropyl Rubbing Alcohol 50 Percent Wintergreen

Isopropyl Rubbing Alcohol 50%

Isopropyl Rubbing Alcohol 70 Percent Wintergreen

Isopropyl Rubbing Alcohol 70%

Isopropyl Rubbing Compound 70%

Jianze Alcohol Prep Pad Large

Moore Brand Alcohol Prep Pads

Rubbing Compound 70%

School Health Sterile Alcohol Prep Pad

2-Propanol, analytical standard

2-PROPANOL, ISOPROPANOL

91 Percent Isopropyl Alcohol

ACMC-1BI1R

Coghlans Survival In A Can

Full Care Alcohol Prep Pad

Hs-E3

IPS 1

iso-C3H7OH

Iso-propylalkohol [German]

Isopropyl Alcohol 50 Percent

Isopropyl Alcohol 70 Percent

Isopropyl Alcohol 91 Percent

Isopropyl alcohol, EuropePharmacopoeia (EP) Reference Standard

Isopropyl Rubbing Alcohol 50 Percent

Isopropyl Rubbing Alcohol 50% With Wintergreen

Isopropyl Rubbing Alcohol 70

Isopropyl Rubbing Alcohol 70 Percent

Isopropyl Rubbing Alcohol 70% With Wintergreen

Isopropyl Rubbing Alcohol 90

Isopropyl Rubbing Alcohol 91 Percent

Medi-first Plus Sterile Alcohol Pads

Medline Alcohol Prep Sterile, Large

Medline Alcohol Prep Sterile, Medium

Mk Alcohol Prep Pads Large

Mk Alcohol Prep Pads Medium

Rubbing Alcohol 70 Percent Isopropyl

Rubbing Alcohol 70%

Rubbing Alcohol 91 Percent Isopropyl

Touchland Kub2go Hand Sanitizer Aloe Vera

Up and Up Alcohol

2 -propanol

2- propanol

2-Propanol, anhydrous

Alcool Isopropylique A Friction Rouge 70%usp

Alpet E3 Hand Sanitizer Spray

Biopropyl Liq 70%

Caring Alcohol Non-sterile, Medium

Curad Alcohol Non-sterile, Medium

Cut Care Alcohol Prep Pad

Dignity Health Hand Sanitizer Cal Stat Plus Antiseptic Handrub With Enhanced Emollients

Global Easy Prep Alcohol Prep Pads

Humco Isopropyl Rubbing Alcohol 70%

Humco Isopropyl Rubbing Alcohol 70% Professional Pack

i-Propylalkohol [German]

Isopropyl alcohol (manufacture strong-acid process)

Isopropyl alcohol [USAN]

Isopropyl Alcohol 99% USP

Isopropyl Alcohol Liq 99%

KSC353M9P

Maxim 50% Isopropyl Rubbing Alcohol

Maxim 50% Isopropyl Rubbing Alcohol With Wintergreen

Maxim 70% Isopropyl Rubbing Alcohol

Maxim 70% Isopropyl Rubbing Alcohol With Wintergreen

Propan-2-ol

propane-2-ol

Rubbing Alcohol 50 Percent

Rubbing Alcohol 50 Percent With Wintergreen

Rubbing Alcohol 70 Percent

Rubbing Alcohol 70 Percent With Wintergreen

1-Hydroxy-1-methylethyl

Alcojel Gel 70%

Alpet E-3

Amg-50

Curad Alcohol Non-sterile, Large

Dop Isopropyl Rubbing Alcohol 70%

Ear Dry Drops Well At Walgreens

Isopropyl Alcohol - GMP

Isopropyl alcohol (manufacturing-strong acid process only)

Isopropyl alcohol (USP)

Isopropyl Rubbing Alcohol 50% With Wintergreen and Glycerin

Isopropyl Rubbing Alcohol Liq 70%

Medline Alcohol Prep Non-sterile, Medium

Preferred Plus Pharmacy 70% Isopropyl Alcohol Wipes

UN1219

2-Propanol, meets USP testing specifications

70% Isopropyl Alcohol Well At Walgreens

A 50% Isopropyl Rubbing Alcohol

BDBM36154

CTK2F3697

Curad Alcohol Non-sterile, Extra Thick

HMDB00863

HSDB 116

I0163

I0164

I0277

Isopro (TN)

Medline Alcohol Prep Non-sterile, Large

More Savings 50 Percent Isopropyl Rubbing Alcohol With Wintergreen

More Savings Rubbing Alcohol 50 Percent

Super Rub 70%

Viraguard! With Virahol (gel)

2-Propanol, ACS reagent

Alcohol Prep Pads - Sterile

DB02325

Freeman Packing Hand Sanitizer 004

Hibistat (Salt/Mix)

i-Propanol [German]

Medline Alcohol Prep Non-sterile, Extra Large

Medline Alcohol Prep Non-sterile, Thick/medium

RL04582

WLN: QY1&1

Zep Alpet E-3 Sanitizer

2-Propanol, HPLC Grade

Alcohol Prep Pad - Medium

C01845

CCRIS 2308

D00137

DSSTox_CID_762

I.V. Prep Antiseptic Wipe

Iso Blu 50 Percent

Isopropanol (JP17)

Isopropyl Rubbing Nf 70%v/v

LTBB002057

n-Propan-2-ol

Smart Sense 70% Isopropyl Rubbing Alcohol First Aid Antiseptic

Visco 1152

ZINC901159

2-Propanol, for HPLC

2-Propanol, GC Grade

Alcohol Prep Pad - Large

Carefine Alcohol Swabs 100 Ct

Carefine Alcohol Swabs 200 Ct

DTXSID7020762

Easy To Break-off Cleaning and Disinfecting Swabstick Dfb-I

Easy To Break-off Cleaning and Disinfecting Swabstick Ybc-I

Ecocare 350 Hand Sanitizer With Skin Conditioner

FEMA Number 2929

Isopropyl Rubbing Alcohol 70% V/v

LS-1565

NSC135801

OR034205

OR098238

OR111345

OR333756

OR336061

OR343005

Propane, 2-hydroxy-

UN 1219

2-Propanol, Ph Eur

2-Propanol, pharmaceutical secondary standard; traceable to USP

300128X

Alcohol Prep Pads - Non Sterile

Arc 42 Essential First Aid Items

CHEBI:17824

Gfa 42 Essential First Aid Items

Isopropanol, 99.5% anhydrous

PROPYL, 2-HYDROXY-

Run Kang Alcohol Pads - Medium

AN-41893

ANW-35384

DSSTox_GSID_20762

ND2M416302

Caswell No. 507

DSSTox_RID_75777

Isopropanol, 70% in H2O

MFCD00011674

ZINC00901159

AI3-01636

ISOPROPYL ALCOHOL, U.S.P.

NSC 135801

NSC-135801

RTR-022706

TR-022706

UNII-ND2M416302

2-Propanol, United States Pharmacopeia (USP) Reference Standard

AKOS000121012

Isopropyl alcohol, meets EP, BP, USP testing specifications

J-510285

2-Propanol, histological grade, 99%

BRN 0635639

FEMA No. 2929

N.A.S.99 Nail Antiseptic Spray

67-63-0

Alcohol Prep F400 70% Liq

I14-19476

Isopropyl alcohol, natural, >=98%, FG

2-Propanol, technical grade, 95%

Ethyl, 1-hydroxy-1-methyl-

Tox21_111039

Tox21_202475

2-Propanol, 99.5%

2-Propanol, LR, >=99%

CAS-67-63-0

ETHYL, 1-METHYL-1-OXY-

One Time Swab Sticks 70% F468

2-Propanol, >72% in a non hazardous diluent

2-Propanol, ACS spectrophotometric grade, >=99.5%

2-Propanol, Laboratory Reagent, >=99.5%

8013-70-5

MCULE-6646752234

NCGC00090917-01

NCGC00260024-01

2-Propanol, anhydrous, 99.5%

EINECS 200-661-7

2-Propanol, >=99.7%, suitable for absorption spectrum analysis

Isopropyl alcohol (only persons who manufacture by the strong acid process are subject, supplier notification not required)

140-EP2269975A2

140-EP2269977A2

140-EP2269989A1

140-EP2269993A1

140-EP2269994A1

140-EP2269997A2

140-EP2270000A1

140-EP2270003A1

140-EP2270008A1

140-EP2270009A1

140-EP2270011A1

140-EP2270012A1

140-EP2270013A1

140-EP2270014A1

140-EP2270113A1

140-EP2272516A2

140-EP2272517A1

140-EP2272537A2

140-EP2272813A2

140-EP2272826A1

140-EP2272827A1

140-EP2272830A1

140-EP2272832A1

140-EP2272837A1

140-EP2272839A1

140-EP2272840A1

140-EP2272841A1

140-EP2272849A1

140-EP2272935A1

140-EP2274983A1

140-EP2275398A1

140-EP2275401A1

140-EP2275404A1

140-EP2275410A1

140-EP2275415A2

140-EP2275419A2

140-EP2275423A1

140-EP2275424A1

140-EP2275425A1

140-EP2275427A1

140-EP2275469A1

140-EP2277507A1

140-EP2277848A1

140-EP2277865A1

140-EP2277866A1

140-EP2277867A2

140-EP2277868A1

140-EP2277869A1

140-EP2277870A1

140-EP2277875A2

140-EP2277876A1

140-EP2277877A1

140-EP2277878A1

140-EP2277881A1

140-EP2280003A2

140-EP2280005A1

140-EP2280006A1

140-EP2280007A1

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140-EP2286795A1

140-EP2286811A1

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140-EP2286915A2

140-EP2287152A2

140-EP2287153A1

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140-EP2287155A1

140-EP2287158A1

140-EP2287161A1

140-EP2287162A1

140-EP2287165A2

140-EP2287166A2

140-EP2287167A1

140-EP2287168A2

140-EP2287940A1

140-EP2289509A2

140-EP2289868A1

140-EP2289879A1

140-EP2289881A1

140-EP2289884A1

140-EP2289885A1

140-EP2289890A1

140-EP2289892A1

140-EP2289897A1

140-EP2289965A1

140-EP2292222A1

140-EP2292233A2

140-EP2292234A1

140-EP2292593A2

140-EP2292597A1

140-EP2292609A1

140-EP2292612A2

140-EP2292613A1

140-EP2292614A1

140-EP2292617A1

140-EP2292620A2

140-EP2292621A1

140-EP2292622A1

140-EP2292625A1

140-EP2292628A2

140-EP2295055A2

140-EP2295401A2

140-EP2295402A2

140-EP2295406A1

140-EP2295411A1

140-EP2295415A1

140-EP2295417A1

140-EP2295422A2

140-EP2295423A1

140-EP2295424A1

140-EP2295426A1

140-EP2295427A1

140-EP2295429A1

140-EP2295432A1

140-EP2295435A1

140-EP2295436A1

140-EP2295437A1

140-EP2298305A1

140-EP2298313A1

140-EP2298729A1

140-EP2298732A1

140-EP2298735A1

140-EP2298742A1

140-EP2298746A1

140-EP2298747A1

140-EP2298749A1

140-EP2298752A1

140-EP2298755A1

140-EP2298760A1

140-EP2298761A1

140-EP2298763A1

140-EP2298767A1

140-EP2298768A1

140-EP2298769A1

140-EP2298770A1

140-EP2298773A1

140-EP2298775A1

140-EP2298776A1

140-EP2298778A1

140-EP2298828A1

140-EP2299785A1

140-EP2301627A1

140-EP2301912A2

140-EP2301913A1

140-EP2301914A1

140-EP2301916A2

140-EP2301925A1

140-EP2301931A1

140-EP2301934A1

140-EP2301940A1

140-EP2301983A1

140-EP2302003A1

140-EP2305033A1

140-EP2305625A1

140-EP2305629A1

140-EP2305633A1

140-EP2305641A1

140-EP2305643A1

140-EP2305647A1

140-EP2305649A1

140-EP2305651A1

140-EP2305658A1

140-EP2305660A1

140-EP2305662A1

140-EP2305663A1

140-EP2305666A1

140-EP2305668A1

140-EP2305670A1

140-EP2305671A1

140-EP2305679A1

140-EP2305681A1

140-EP2305682A1

140-EP2305683A1

140-EP2305684A1

140-EP2305687A1

140-EP2305688A1

140-EP2305695A2

140-EP2305696A2

140-EP2305697A2

140-EP2305698A2

140-EP2305825A1

140-EP2306788A1

140-EP2306789A1

140-EP2308471A1

140-EP2308492A1

140-EP2308562A2

140-EP2308812A2

140-EP2308828A2

140-EP2308839A1

140-EP2308849A1

140-EP2308850A1

140-EP2308851A1

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140-EP2308867A2

140-EP2308869A1

140-EP2308870A2

140-EP2308873A1

140-EP2308877A1

140-EP2308878A2

140-EP2308879A1

140-EP2308926A1

140-EP2309564A1

140-EP2311453A1

140-EP2311464A1

140-EP2311494A1

140-EP2311796A1

140-EP2311797A1

140-EP2311798A1

140-EP2311799A1

140-EP2311801A1

140-EP2311802A1

140-EP2311803A1

140-EP2311806A2

140-EP2311808A1

140-EP2311811A1

140-EP2311812A1

140-EP2311813A1

140-EP2311814A1

140-EP2311815A1

140-EP2311820A1

140-EP2311821A1

140-EP2311823A1

140-EP2311824A1

140-EP2311825A1

140-EP2311829A1

140-EP2311830A1

140-EP2311831A1

140-EP2311832A1

140-EP2311833A1

140-EP2311838A1

140-EP2311839A1

140-EP2311842A2

140-EP2314558A1

140-EP2314576A1

140-EP2314577A1

140-EP2314578A1

140-EP2314585A1

140-EP2314587A1

140-EP2314589A1

140-EP2314591A1

140-EP2316837A1

140-EP2371808A1

140-EP2371814A1

140-EP2372017A1

140-EP2374454A1

140-EP2374790A1

140-EP2374791A1

140-EP2380874A2

141-EP2269977A2

141-EP2269989A1

141-EP2270007A1

141-EP2270017A1

141-EP2270113A1

141-EP2270114A1

141-EP2272537A2

141-EP2272848A1

141-EP2272849A1

141-EP2272935A1

141-EP2272972A1

141-EP2272973A1

141-EP2274983A1

141-EP2275409A1

141-EP2275411A2

141-EP2275469A1

141-EP2277565A2

141-EP2277566A2

141-EP2277567A1

141-EP2277568A2

141-EP2277569A2

141-EP2277570A2

141-EP2277866A1

141-EP2277867A2

141-EP2277872A1

141-EP2277879A1

141-EP2277945A1

141-EP2280003A2

141-EP2280010A2

141-EP2280014A2

141-EP2284159A1

141-EP2284160A1

141-EP2284165A1

141-EP2284167A2

141-EP2284168A2

141-EP2284169A1

141-EP2286811A1

141-EP2287152A2

141-EP2287161A1

141-EP2287162A1

141-EP2287165A2

141-EP2287166A2

141-EP2287168A2

141-EP2289877A1

141-EP2289890A1

141-EP2289892A1

141-EP2292227A2

141-EP2292280A1

141-EP2292590A2

141-EP2292601A1

141-EP2292602A1

141-EP2292603A1

141-EP2292606A1

141-EP2292612A2

141-EP2292618A1

141-EP2292619A1

141-EP2292620A2

141-EP2292622A1

141-EP2293650A1

141-EP2295402A2

141-EP2295409A1

141-EP2295415A1

141-EP2295417A1

141-EP2295421A1

141-EP2295430A2

141-EP2295431A2

141-EP2295437A1

141-EP2298734A2

141-EP2298735A1

141-EP2298737A1

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141-EP2298740A1

141-EP2298741A1

141-EP2298747A1

141-EP2298750A1

141-EP2298758A1

141-EP2298759A1

141-EP2298767A1

141-EP2298768A1

141-EP2298770A1

141-EP2298771A2

141-EP2298774A1

141-EP2298775A1

141-EP2298778A1

141-EP2298828A1

141-EP2299509A1

141-EP2299510A1

141-EP2301534A1

141-EP2301920A1

141-EP2301921A1

141-EP2301926A1

141-EP2301929A1

141-EP2301935A1

141-EP2301936A1

141-EP2301941A1

141-EP2305219A1

141-EP2305243A1

141-EP2305644A1

141-EP2305649A1

141-EP2305652A2

141-EP2305664A1

141-EP2305667A2

141-EP2305668A1

141-EP2305670A1

141-EP2305672A1

141-EP2305674A1

141-EP2305680A2

141-EP2305682A1

141-EP2305683A1

141-EP2305684A1

141-EP2305769A2

141-EP2308562A2

141-EP2308812A2

141-EP2308843A1

141-EP2308857A1

141-EP2308858A1

141-EP2308861A1

141-EP2308867A2

141-EP2308870A2

141-EP2308872A1

141-EP2308873A1

141-EP2308875A1

141-EP2308879A1

141-EP2309584A1

141-EP2311451A1

141-EP2311815A1

141-EP2311816A1

141-EP2311817A1

141-EP2311824A1

141-EP2311826A2

141-EP2311831A1

141-EP2311837A1

141-EP2311839A1

141-EP2311840A1

141-EP2314558A1

141-EP2314587A1

141-EP2314589A1

141-EP2316450A1

141-EP2316470A2

141-EP2316828A1

141-EP2316829A1

141-EP2316831A1

141-EP2316834A1

141-EP2316835A1

141-EP2316836A1

141-EP2316837A1

141-EP2316905A1

141-EP2316906A2

141-EP2371810A1

141-EP2371812A1

141-EP2372017A1

141-EP2372804A1

141-EP2374454A1

141-EP2374526A1

141-EP2374783A1

141-EP2378585A1

Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]

SR-01000944474

2-Propanol, ACS reagent, >=99.5%

2-Propanol, AR, >=99.5%

2-Propanol, USP, 99.0%

Isopropyl alcohol, >=99.7%, FCC, FG

2-Propanol, 99.5%, HPLC grade

2-Propanol, for HPLC, >=99.8%

2-Propanol, JIS special grade, >=99.5%

5051-EP2269975A2

5051-EP2269977A2

5051-EP2269986A1

5051-EP2269997A2

5051-EP2269999A1

5051-EP2270008A1

5051-EP2270015A1

5051-EP2272817A1

5051-EP2272825A2

5051-EP2272829A2

5051-EP2272835A1

5051-EP2272844A1

5051-EP2274983A1

5051-EP2275403A1

5051-EP2275411A2

5051-EP2275413A1

5051-EP2275414A1

5051-EP2275415A2

5051-EP2275423A1

5051-EP2277858A1

5051-EP2277871A1

5051-EP2280001A1

5051-EP2281821A1

5051-EP2284148A1

5051-EP2284157A1

5051-EP2284167A2

5051-EP2284168A2

5051-EP2284169A1

5051-EP2286811A1

5051-EP2287153A1

5051-EP2287155A1

5051-EP2287156A1

5051-EP2287161A1

5051-EP2287162A1

5051-EP2289509A2

5051-EP2289510A1

5051-EP2289879A1

5051-EP2289890A1

5051-EP2289894A2

5051-EP2292589A1

5051-EP2292592A1

5051-EP2292607A2

5051-EP2292617A1

5051-EP2295401A2

5051-EP2295406A1

5051-EP2295409A1

5051-EP2295414A1

5051-EP2295423A1

5051-EP2295437A1

5051-EP2298735A1

5051-EP2298747A1

5051-EP2298753A1

5051-EP2298755A1

5051-EP2298761A1

5051-EP2298763A1

5051-EP2298768A1

5051-EP2298770A1

5051-EP2298772A1

5051-EP2298775A1

5051-EP2301544A1

5051-EP2301627A1

5051-EP2301911A1

5051-EP2301919A1

5051-EP2305254A1

5051-EP2305625A1

5051-EP2305642A2

5051-EP2305647A1

5051-EP2305655A2

5051-EP2305662A1

5051-EP2305667A2

5051-EP2305671A1

5051-EP2305672A1

5051-EP2305676A1

5051-EP2305682A1

5051-EP2305684A1

5051-EP2305687A1

5051-EP2305769A2

5051-EP2305808A1

5051-EP2308492A1

5051-EP2308838A1

5051-EP2308839A1

5051-EP2308857A1

5051-EP2308864A1

5051-EP2308866A1

5051-EP2308877A1

5051-EP2308879A1

5051-EP2311805A1

5051-EP2311807A1

5051-EP2311830A1

5051-EP2314581A1

5051-EP2314586A1

5051-EP2314591A1

5051-EP2316827A1

5051-EP2371805A1

5051-EP2371811A2

5051-EP2374783A1

5051-EP2377841A1

5051-EP2377848A1

5051-EP2380568A1

MolPort-000-871-957

2-Propanol, 99.9%, PRA grade

2-Propanol, for HPLC, 99.5%

2-Propanol, for HPLC, 99.9%

2-Propanol, for molecular biology, BioReagent, >=99.5%

2-Propanol, SAJ first grade, >=99.0%

11948-EP2270006A1

11948-EP2270011A1

11948-EP2272537A2

11948-EP2275423A1

11948-EP2277866A1

11948-EP2280014A2

11948-EP2281559A1

11948-EP2284148A1

11948-EP2284174A1

11948-EP2287168A2

11948-EP2289509A2

11948-EP2292590A2

11948-EP2292612A2

11948-EP2292622A1

11948-EP2292628A2

11948-EP2295401A2

11948-EP2295409A1

11948-EP2298729A1

11948-EP2298734A2

11948-EP2301534A1

11948-EP2301939A1

11948-EP2305250A1

11948-EP2305652A2

11948-EP2305663A1

11948-EP2305667A2

11948-EP2305682A1

11948-EP2305695A2

11948-EP2305696A2

11948-EP2305697A2

11948-EP2305698A2

11948-EP2308812A2

11948-EP2308873A1

11948-EP2308879A1

11948-EP2311451A1

11948-EP2311824A1

11948-EP2311831A1

11948-EP2316450A1

2-Propanol, UV HPLC gradient, 99.8%

32837-EP2284167A2

32837-EP2284168A2

32837-EP2295411A1

32837-EP2301933A1

32837-EP2308812A2

32837-EP2308855A1

32837-EP2311820A1

32837-EP2311827A1

32837-EP2311850A1

40330-EP2269977A2

40330-EP2269979A1

40330-EP2270003A1

40330-EP2289881A1

40330-EP2289886A1

40330-EP2292222A1

40330-EP2295402A2

40330-EP2295423A1

40330-EP2298761A1

40330-EP2301544A1

40330-EP2305682A1

40330-EP2305684A1

40330-EP2305687A1

40330-EP2308848A1

40330-EP2308867A2

40330-EP2308870A2

40330-EP2308879A1

40330-EP2311830A1

40330-EP2371805A1

40330-EP2380871A1

45166-EP2272813A2

45166-EP2272849A1

45166-EP2289509A2

45166-EP2289879A1

45166-EP2292593A2

45166-EP2292616A1

45166-EP2292619A1

45166-EP2292622A1

45166-EP2298773A1

45166-EP2305250A1

45166-EP2305659A1

45166-EP2311821A1

45166-EP2380873A1

45166-EP2380874A2

51765-EP2270114A1

51765-EP2277866A1

51765-EP2292628A2

51765-EP2308510A1

51765-EP2308867A2

51765-EP2308870A2

51765-EP2311824A1

97840-EP2269992A1

97840-EP2289885A1

97840-EP2289896A1

97840-EP2292608A1

97840-EP2298749A1

97840-EP2305685A1

97840-EP2305686A1

97840-EP2380874A2

Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]

Oi+/-u>>u (1/4)

Oi+/-u (1/4)

OU+/-u (1/4)

SR-01000944474-1

2-Propanol, electronic grade, 99.999% trace metals basis

2-Propanol, semiconductor grade PURANAL(TM) (Honeywell 17829)

2-Propanol, anhydrous, 99.5% 250ml

2-Propanol, semiconductor grade SLSI PURANAL(TM) (Honeywell 17030)

2-Propanol, semiconductor grade ULSI PURANAL(TM) (Honeywell 17022)

2-Propanol, semiconductor grade VLSI PURANAL(TM) (Honeywell 17604)

2-Propanol, semiconductor grade MOS PURANAL(TM) (Honeywell 17930)

2-Propanol, Vetec(TM) reagent grade, anhydrous, >=99.5%

2-+/-u (1/4)

2-Propanol, >10 - 50% in a non hazardous diluent

2-Propanol, >50 - 72% in a non hazardous diluent

2-Propanol, reag. ISO, UV HPLC spectroscopic, 99.7%

4-01-00-01461 (Beilstein Handbook Reference)

2-Propanol, BioUltra, for molecular biology, >=99.5% (GC)

2-Propanol, >=99.7%, for residue analysis, suitable for 1000 per JIS

2-Propanol, HPLC Plus, for HPLC, GC, and residue analysis, 99.9%

InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H

2-Propanol, p.a., ACS reagent, reag. ISO, 99.8%

2-Propanol, puriss. p.a., ACS reagent, >=99.8% (GC)

2-Propanol, HPLC Plus, for HPLC, GC, and residue analysis, 99.9%, poly coated bottles

2-Propanol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC)

2-Propanol, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8% (GC)

IUPAC name

propan-2-ol

SMILES

CC(C)O

Inchi

InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

Formula

C₃H₈O

PubChem ID

3776

Molweight

60.096

LogP

0.25

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

The Henry's Law constant for isopropanol is 8.10X10-6 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that isopropanol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 86 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 29 days(SRC). Isopropanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isopropanol is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 45.2 mm Hg at 25 deg C(3). The volatilization of isopropanol from a runoff tank of an industrial wastewater treatment facility was measured; the volatilization rate of isopropanol ranged between 0.64-0.69 mg/sq m-min(4). The evaporation rate of a 1:1 isopropanol:water mixture from a shallow pool was 1.5 kg/sq-m per hour at a wind speed of 4.5 m/s and pool temperature of 20 deg C and an ambient air temperature of 22 deg C(5). Laboratory studies demonstrated that isopropanol will volatilize from water to air in the absence of wind(6).
Literature: (1) Taft RW et al; Nature 313: 384-6 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng New York, NY: Hemisphere Pub Corp 5 Vol (1989) (4) Gholson AR et al; Environ Sci Technol 25: 519-24 (1991) (5) WHO; Environmental Health Criteria 103, 2-Propanol. Geneva, Switzerland: WHO International Program on Chemical Safety. pp. 1-77 (1990) (6) Hedden T et al; Haz Waste Haz Mater 7: 223-37 (1990)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isopropanol can be estimated to be 1.5(SRC). According to a classification scheme(2), this estimated Koc value suggests that isopropanol is expected to have very high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
45.4 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 9597

MS-MS Spectrum 16269

MS-MS Spectrum 9596

MS-MS Spectrum 4737 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 1219 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 9598

MS-MS Spectrum 4735 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 16270

MS-MS Spectrum 1218 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4736 - EI-B (JEOL JMS-D-3000) Positive

MS-MS Spectrum 4738 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 16268

MS-MS Spectrum 1217 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 3272 - NEVA 15.09 MHz 13C NMR

1D NMR Spectrum 1573 - Varian 500 MHz 1H NMR

1D NMR Spectrum 2576 - JEOL 90 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Fungi	Paecilomyces Variotii Bain	na	compost, soils, food products	Sunesson et al., 1995
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Penicillium Palitans (commune) (IBT 15899)	n/a	obtained from buildings	Wilkins et al., 2000
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Fungi	Paecilomyces Variotii Bain	MEA	GC/MS
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Penicillium Palitans (commune) (IBT 15899)	medium with glutamin	Cultures were grown at 21-23Â°C for 7 days,VOC-analyse by GC/MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS

Butan-2-one

Mass-Spectra

Compound Details

Synonymous names

Aethylmethylketon

Ethylmethylcetone

Ethylmethylketon

ethylmethylketone

Methylethylketone

Metiletilchetone

Metyloetyloketon

Methylpropanone

Metiletilcetona

methylacetone

Butanone

ethyl methylketone

ethylmathyl ketone

ethylmethyl ketone

methyl ethylketone

methyl-ethylketone

Methylethyl ketone

methylethyl-ketone

Oxobutane

ZWEHNKRNPOVVGH-UHFFFAOYSA-N

Butanon

Meetco

Methyl acetone

MEK

Ethyl methyl cetone

Ethyl methyl ketone

ethyl-methyl ketone

methyl ethyl cetone

METHYL ETHYL KETONE

methyl-ethyl ketone

methyl-ethyl-ketone

Metyl ethyl ketone

n-butanone

AC1L1MTM

Aethylmethylketon [German]

Ethylmethylcetone [French]

Metiletilcetona [Spanish]

Metiletilchetone [Italian]

Metyloetyloketon [Polish]

2-Butanone

2-Oxobutane

3-Butanone

Butanone 2

Ethylmethylketon [Dutch]

2-butanal

2-butanon

6PT9KLV9IO

C2H5COCH3

Ethyl- a -Chloropropionamide

ethyl(methyl) ketone

Ketone, ethyl methyl

Ketone, methyl ethyl

Methyl Ethyl Ketone Reagent Grade ACS

methyl(ethyl) ketone

2-Butanone, analytical standard

UNII-6PT9KLV9IO

2 -butanone

2- butanone

AC1Q2S03

AC1Q2S04

Acetone, methyl-

Butan-2-one

butane-2-one

Ethyl methyl ketone or methyl ethyl ketone

HSDB 99

KSC377S9D

CHEMBL15849

Methyl ethyl ketone, ACS reagent

UN1193

ASTM-D740

CTK2H7991

E0140

HMDB00474

Ethyl methyl cetone [French]

Methyl Ethyl Ketone, pharmaceutical secondary standard; traceable to USP

RP18311

2-Butanone, HPLC Grade

C02845

CCRIS 2051

RCRA waste number U159

ZINC901514

BBL011450

Butanone 2 [French]

DTXSID3021516

LS-1761

OR034250

OR129517

OR129518

OR192028

OR225680

OR280101

STL146562

UN 1193

ZB015288

A839534

CHEBI:28398

DSSTox_CID_1516

Methyl Ethyl Ketone - Mil Spec

AN-42129

BP-30009

CJ-04546

DSSTox_GSID_21516

BB_SC-6989

BUTYL, 3-OXO-

Caswell No. 569

DSSTox_RID_76193

LMFA12000043

Methyl ethyl ketone, United States Pharmacopeia (USP) Reference Standard

MFCD00011648

ZINC00901514

AI3-07540

KB-169162

RTR-025185

TR-025185

AKOS000118991

EPA Pesticide Chemical Code 044103

ghl.PD_Mitscher_leg0.417

I14-4164

RCRA waste no. U159

FEMA No. 2170

FT-0628728

FT-0634386

78-93-3

2-Butanone, technical grade, 99%

Tox21_200041

2-Butanone, LR, >=99%

CAS-78-93-3

PROPYL, 1-METHYL-2-OXO-

MCULE-8276670748

NCGC00090973-01

NCGC00090973-02

NCGC00257595-01

2-Butanone, 97% 1L

2-Butanone, ReagentPlus(R), >=99%

EINECS 201-159-0

2-Butanone, natural, >=99%, FG

AI3-07540 (USDA)

135311-02-3

2-Butanone, ACS reagent, >=99.0%

2-Butanone, AR, >=99.5%

2-Butanone, for HPLC, >=99.7%

2-Butanone, JIS special grade, >=99.0%

5793-EP2270114A1

5793-EP2280005A1

5793-EP2281817A1

5793-EP2289879A1

5793-EP2289884A1

5793-EP2289897A1

5793-EP2292601A1

5793-EP2292602A1

5793-EP2293650A1

5793-EP2298739A1

5793-EP2298746A1

5793-EP2298771A2

5793-EP2298772A1

5793-EP2301922A1

5793-EP2305658A1

5793-EP2305667A2

5793-EP2308839A1

5793-EP2371805A1

MolPort-001-783-785

2-Butanone, SAJ first grade, >=99.0%

15136-EP2270004A1

15136-EP2270114A1

15136-EP2272813A2

15136-EP2272817A1

15136-EP2272832A1

15136-EP2272841A1

15136-EP2275395A2

15136-EP2275401A1

15136-EP2277874A1

15136-EP2289879A1

15136-EP2289893A1

15136-EP2295407A1

15136-EP2295425A1

15136-EP2295426A1

15136-EP2295427A1

15136-EP2298735A1

15136-EP2298736A1

15136-EP2298761A1

15136-EP2305642A2

15136-EP2305652A2

15136-EP2305687A1

15136-EP2308864A1

15136-EP2308877A1

15136-EP2311830A1

15136-EP2314590A1

15136-EP2316832A1

15136-EP2316833A1

15136-EP2371808A1

15136-EP2371831A1

15136-EP2374454A1

15136-EP2377842A1

15249-EP2270000A1

15249-EP2281810A1

15249-EP2286811A1

15249-EP2289897A1

15249-EP2298735A1

15249-EP2305647A1

15249-EP2305688A1

15249-EP2311830A1

15249-EP2316832A1

15249-EP2316833A1

18726-EP2289879A1

18726-EP2314576A1

23079-EP2275424A1

23079-EP2311832A1

23079-EP2311833A1

23079-EP2314591A1

26070-EP2269986A1

26070-EP2269995A1

26070-EP2270000A1

26070-EP2270009A1

26070-EP2270113A1

26070-EP2272822A1

26070-EP2272827A1

26070-EP2272832A1

26070-EP2272849A1

26070-EP2272935A1

26070-EP2274983A1

26070-EP2275407A1

26070-EP2275411A2

26070-EP2275423A1

26070-EP2275469A1

26070-EP2277866A1

26070-EP2277878A1

26070-EP2281812A1

26070-EP2281821A1

26070-EP2284146A2

26070-EP2284147A2

26070-EP2284149A1

26070-EP2284165A1

26070-EP2284174A1

26070-EP2286811A1

26070-EP2287154A1

26070-EP2287940A1

26070-EP2289868A1

26070-EP2289879A1

26070-EP2289885A1

26070-EP2289965A1

26070-EP2292592A1

26070-EP2292593A2

26070-EP2292597A1

26070-EP2292609A1

26070-EP2295423A1

26070-EP2295430A2

26070-EP2295431A2

26070-EP2295438A1

26070-EP2298729A1

26070-EP2298753A1

26070-EP2298763A1

26070-EP2298767A1

26070-EP2298828A1

26070-EP2299326A1

26070-EP2301918A1

26070-EP2301920A1

26070-EP2301924A1

26070-EP2301983A1

26070-EP2302003A1

26070-EP2305636A1

26070-EP2305642A2

26070-EP2305649A1

26070-EP2305650A1

26070-EP2305667A2

26070-EP2305676A1

26070-EP2305685A1

26070-EP2305686A1

26070-EP2308510A1

26070-EP2308562A2

26070-EP2308828A2

26070-EP2308838A1

26070-EP2308857A1

26070-EP2308858A1

26070-EP2308865A1

26070-EP2308926A1

26070-EP2309564A1

26070-EP2309584A1

26070-EP2311801A1

26070-EP2311802A1

26070-EP2311803A1

26070-EP2311815A1

26070-EP2311816A1

26070-EP2311817A1

26070-EP2314558A1

26070-EP2314577A1

26070-EP2314587A1

26070-EP2371797A1

26070-EP2371798A1

26070-EP2371800A1

26070-EP2371804A1

26070-EP2371808A1

26070-EP2371811A2

26070-EP2371814A1

26070-EP2374533A1

26070-EP2374538A1

26070-EP2374895A1

26070-EP2377845A1

26070-EP2380568A1

26070-EP2380873A1

28325-EP2270000A1

28325-EP2270008A1

28325-EP2275102A1

28325-EP2275423A1

28325-EP2277877A1

28325-EP2289879A1

28325-EP2289885A1

28325-EP2289897A1

28325-EP2292593A2

28325-EP2292617A1

28325-EP2298768A1

28325-EP2307364A1

28325-EP2308861A1

28325-EP2308865A1

28325-EP2310373A1

28325-EP2311808A1

28325-EP2311829A1

28325-EP2311840A1

28325-EP2314577A1

28325-EP2371797A1

28325-EP2371798A1

28325-EP2371800A1

28325-EP2371804A1

28325-EP2371808A1

89669-EP2277868A1

89669-EP2277869A1

89669-EP2277870A1

89669-EP2281861A2

89669-EP2292608A1

89669-EP2305033A1

113739-EP2270000A1

113739-EP2272843A1

113739-EP2272849A1

113739-EP2281817A1

113739-EP2284169A1

113739-EP2287161A1

113739-EP2287162A1

113739-EP2289877A1

113739-EP2292618A1

113739-EP2295406A1

113739-EP2298772A1

138199-EP2292592A1

138199-EP2292595A1

2-Butanone, >=99.5%, FCC, FG

2-Butanone, puriss., >=99% (GC)

Ethyl methyl ketone or methyl ethyl ketone [UN1193] [Flammable liquid]

2-Butanone, HPLC grade, for HPLC, >=99.5%

Ethyl methyl ketone or methyl ethyl ketone [UN1193] [Flammable liquid]

InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H

2-Butanone solution, certified reference material, 2000 mug/mL in methanol: water (9:1)

2-Butanone, 5000 mug/mL in methanol: water (9:1), analytical standard

2-Butanone, puriss., ACS reagent, reag. Ph. Eur., 99.5%

2-Butanone, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)

IUPAC name

butan-2-one

SMILES

CCC(=O)C

Inchi

InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3

Formula

CH₃COCH₂CH₃

PubChem ID

6569

Molweight

72.107

LogP

0.81

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones

mVOC Specific Details

Volatilization

The Henry's Law constant for methyl ethyl ketone is 4.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that methyl ethyl ketone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 18 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 8.2 days(SRC). Methyl ethyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl ethyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 90.6 mm Hg(3). The volatilization half-life of methyl ethyl ketone from silt and sandy loams was measured as 4.9 days(4).
Literature: (1) Ji C, Evans EM; Environ Toxicol Chem 26(2): 231-236 (2007) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995) (4) Anderson TA et al; J Environ Qual 20: 420-24 (1991)

Soil Adsorption

Measured Koc values of 29 and 34 were obtained for methyl ethyl ketone in a silt loam and sandy loam soil respectively(1). A measured Koc value of 3.55 has also been reported(2). According to a classification scheme(3), these Koc values suggest that methyl ethyl ketone is expected to have very high mobility in soil(SRC).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-58 (1992) (2) ATSDR; Toxicological Profile for 2-Butanone. Atlanta, GA: Agency for Toxic Substances and Disease Registry, US Public Health Service (1992). Available from, as of Dec 8, 2014: http://www.atsdr.cdc.gov/toxprofiles/index.asp (3) Swann RL et al; Res Rev 85: 23 (1983)

Vapor Pressure

Pressure	Reference
90.6 mm Hg at 25 deg C	Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)

MS-Links

MS-MS Spectrum 4086 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 19963

MS-MS Spectrum 694 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 19962

MS-MS Spectrum 692 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4088 - EI-B (HITACHI M-80) Positive

MS-MS Spectrum 22254

MS-MS Spectrum 20703

MS-MS Spectrum 19961

MS-MS Spectrum 4087 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 20702

MS-MS Spectrum 693 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 2643 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 1387 - Varian 500 MHz 1H NMR

1D NMR Spectrum 3330 - NEVA 15.09 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Cereus YMF3Â·00019	na	na	Su et al., 2016
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Brevibacterium Epidermidis YMF3Â·00155	na	na	Su et al., 2016
Bacteria	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Coagulase Negative Staphylococci		milk of cows	Hettinga et al 2010
Bacteria	Escherichia Coli		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Lactobacillus Casei		fermented milk	Gallegos et al. 2017
Bacteria	Lactobacillus Lactis Subsp. Cremoris		Spanish strain collection CECT	Gallegos et al. 2017
Bacteria	Lactobacillus Lactis Subsp. Lactis		Spanish strain collection CECT	Gallegos et al. 2017
Bacteria	Lactobacillus Paracasei Subsp Paracasei		Spanish strain collection CECT	Gallegos et al. 2017
Bacteria	Lactobacillus Sakei CIRM467T	na	Sake starter	PogaÄiÄ‡ et al., 2016
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Proteus Penneri YMF3Â·00016	na	na	Su et al., 2016
Bacteria	Proteus Vulgaris Sp.	na	na	Su et al., 2016
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	na	na	Su et al., 2016
Bacteria	Saccharomonospora Rectivirgula DSM 43113	na	soil	Wilkins, 1996
Bacteria	Saccharomonospora Viridis DSM 43017	na	soil	Wilkins, 1996
Bacteria	Salmonella Enterica	n/a		Bunge et al., 2008
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Staphylococcus Aureus		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Dysgalactiae		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Uberis		milk of cows	Hettinga et al 2010
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Bacteria	Thermomonospora Fusca DSM 43792	na	soil	Wilkins, 1996
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008
Fungi	Muscodor Crispans	n/a		Mitchell et al., 2010
Fungi	Paecilomyces Variotii Bain	na	compost, soils, food products	Sunesson et al., 1995
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Phialophora Fastigiata Conant	na	na	Sunesson et al., 1995
Fungi	Phoma Sp.	n/a		Strobel et al., 2014
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al., 2012
Bacteria	Achromobacter Xylosoxidans AF411019	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Arthrobacter Nicotianae JQ071518	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Mycobacterium Bovis	n/a		MCNerney et al., 2017
Bacteria	Wautersiella Falsenii AM238687	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Cyanobacteria	As part of a multicomponent odour it is also an attractant for the freshwater nematode Bursilla monhystera.		Schulz and Dickschat, 2007
Bacteria	Pseudomonas Perolens ATCC 10757	na	sterile fish muscle (Sebastes melanops)	Miller et al., 1973
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Mesentericum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Panniferum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Cereus YMF3Â·00019	LB medium	SPME-GC/MS	No
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Brevibacterium Epidermidis YMF3Â·00155	LB medium	SPME-GC/MS	No
Bacteria	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Coagulase Negative Staphylococci		GCMS DSQ	no
Bacteria	Escherichia Coli	milk samples	GC-MS(BPX-5)	no
Bacteria	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Lactobacillus Casei	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Lactis Subsp. Cremoris	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Lactis Subsp. Lactis	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Paracasei Subsp Paracasei	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Sakei CIRM467T	curd-based broth medium	GC/MS	Yes
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Proteus Penneri YMF3Â·00016	LB medium	SPME-GC/MS	No
Bacteria	Proteus Vulgaris Sp.	LB medium	SPME-GC/MS	No
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	LB medium	SPME-GC/MS	No
Bacteria	Saccharomonospora Rectivirgula DSM 43113	Nutrient agar CM3	GC/MS
Bacteria	Saccharomonospora Viridis DSM 43017	Nutrient agar CM3	GC/MS
Bacteria	Salmonella Enterica	n/a	n/a
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Staphylococcus Aureus		GCMS DSQ	no
Bacteria	Streptococcus Dysgalactiae		GCMS DSQ	no
Bacteria	Streptococcus Uberis		GCMS DSQ	no
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Fungi	Candida Tropicalis	n/a	n/a
Fungi	Muscodor Crispans	potato dextrose agar	SPME-GC-MS
Fungi	Paecilomyces Variotii Bain	DG18	GC/MS
Fungi	Penicillium Commune Pitt	DG18	GC/MS
Fungi	Phialophora Fastigiata Conant	DG18	GC/MS
Fungi	Phoma Sp.	n/a	Solid phase microextraction (SPME)
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Trichodema Pseudokoningii	Low medium	GC/MS
Fungi	Trichodema Viride	Malt extract/Low medium	GC/MS
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Uncinatum	n/a	SPME-GC-MS
Bacteria	Achromobacter Xylosoxidans AF411019	LB liquid	SPME-GC/MS
Bacteria	Arthrobacter Nicotianae JQ071518	LB liquid	SPME-GC/MS
Bacteria	Mycobacterium Bovis	Loewenstein-Jensen media	Headspace analyze / SIFT-MS and TD-GC-MS.
Bacteria	Wautersiella Falsenii AM238687	LB liquid	SPME-GC/MS
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Pseudomonas Perolens ATCC 10757	Trypticase soil agar (BBL)	GC/MS
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)

2-methylpropanoic Acid

Mass-Spectra

Compound Details

Synonymous names

Dimethylacetate

Isobuttersaeure

Isobutyricacid

alpha-Methylpropanoate

alpha-Methylpropionate

Isobutanoate

Dimethylacetic acid

Isobutyrate

Isopropylformic acid

Kyselina isomaselna

methylpropionic acid

a-Methylpropanoate

a-Methylpropionate

alpha-Methylpropanoic acid

alpha-Methylpropionic acid

KQNPFQTWMSNSAP-UHFFFAOYSA-N

2-Methylpropionsaeure

Isobutanoic acid

ISOBUTYRIC ACID

isopropyl carboxylic acid

a-Methylpropanoic acid

a-Methylpropionic acid

NATURAL ISOBUTYRIC ACID

alpha-isobutyric acid

ALQ

ISB

iso-Butyrate

2-Propanecarboxylic acid

i-butyrate

Isobutyric acid, analytical standard

Nat.Isobutyric Acid

1iup

2-Methylpropanoic acid

2-Methylpropionic acid

AC1L1MVA

AC1Q5RPW

Iso-butyric acid

i-Butyric acid

.alpha.-Methylpropanoic acid

.alpha.-Methylpropionic acid

iso-C3H7COOH

2-methyl propanoic acid

2-methyl-propanoic acid

2-METHYL-PROPIONIC ACID

Kyselina isomaselna [Czech]

AC1Q1O87

Cenex RP b2

GTPL1060

Isobutyric acid (natural)

K400

KSC489M7N

Tenox EBP 2

Tenox IBP 2

Tenox IBP-2

2,2-dimethylacetic acid

Acetic acid, dimethyl-

UN2529

CTK3I9676

HMDB01873

I0103

2-Methyl Propionic Acic, Natural

ACMC-209ph0

CHEMBL108778

DB02531

Isobutyric acid, 99%

Methylpropanoic acid, 2-

NSC62780

Propanoic acid,2-methyl-

RP18490

WLN: QVY1&1

8LL210O1U0

bmse000439

C02632

HSDB 5228

ZINC901420

BBL011415

DTXSID4021636

Isobutyric acid, certified reference material, TraceCERT(R)

LS-2857

OR034208

OR249586

OR281996

OR342159

STL146521

Tenox IBP-2 Grain Pr

UN 2529

CHEBI:16135

DSSTox_CID_1636

UNII-8LL210O1U0

AN-23989

ANW-37282

Caswell No. 503AA

DSSTox_GSID_21636

KB-77935

NSC 62780

NSC-62780

Propanoic acid, 2-methyl-

Propionic acid, 2-methyl-

SC-23341

BB_SC-6843

DSSTox_RID_76250

LMFA01020071

MFCD00002658

AI3-24260

RTR-032122

Tenox IBP-2 Grain Pr.

TR-032122

AKOS000118733

EPA Pesticide Chemical Code 101502

BRN 0635770

FEMA No. 2222

FT-0625068

79-31-2

I14-10607

Z955123672

ETHYL, 1-CARBOXY-1-METHYL-

Tox21_201207

F2191-0099

PROPOXY, 2-METHYL-1-OXO-

CAS-79-31-2

Isobutyric acid, >=99%, FCC, FG

2597-39-9

MCULE-7783770647

NCGC00248957-01

NCGC00258759-01

EINECS 201-195-7

Isobutyric acid [UN2529] [Flammable liquid]

Isobutyric acid, natural, >=99%, FCC, FG

MolPort-001-783-185

996-30-5 (hydrochloride salt)

11047-EP2269610A2

11047-EP2270003A1

11047-EP2272841A1

11047-EP2275401A1

11047-EP2277848A1

11047-EP2289510A1

11047-EP2295055A2

11047-EP2298763A1

11047-EP2298772A1

11047-EP2308839A1

11047-EP2308858A1

11047-EP2311453A1

11047-EP2311816A1

11047-EP2311817A1

11047-EP2311822A1

11047-EP2316457A1

11047-EP2316458A1

11047-EP2316825A1

11047-EP2316826A1

11047-EP2316827A1

11047-EP2316828A1

11047-EP2371803A1

11047-EP2374538A1

11047-EP2374787A1

11047-EP2377843A1

88696-EP2287158A1

88696-EP2289876A1

88696-EP2295411A1

88696-EP2298777A2

88696-EP2305825A1

Isobutyric acid [UN2529] [Flammable liquid]

533-90-4 (calcium salt)

19455-20-0 (potassium salt)

22228-82-6 (ammonium salt)

Isobutyric acid, puriss. p.a., >=99.5%

4-02-00-00843 (Beilstein Handbook Reference)

InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6

IUPAC name

2-methylpropanoic acid

SMILES

CC(C)C(=O)O

Inchi

InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

Formula

(CH₃)₂CHCOOH

PubChem ID

6590

Molweight

88.106

LogP

1.02

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Volatilization

A pKa of 4.84(1) indicates isobutyric acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Isobutyric acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.81 mm Hg(3).
Literature: (1) Kortum G et al; Dissociation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry. London: Butterworth (1961) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals 4 NY: Hemisphere Pub Corp (1989)

Soil Adsorption

The Koc of isobutyric acid is estimated as 77(SRC), using a log Kow of 0.94(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isobutyric acid is expected to have high mobility in soil. The pKa of isobutyric acid is 4.84(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Kortum G et al; Dissociation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry. London: Butterworth (1961) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Vapor Pressure

Pressure	Reference
1.81 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 180481

MS-MS Spectrum 1763 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 1764 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5529 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 5530 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 180480

MS-MS Spectrum 180482

MS-MS Spectrum 5527 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 1762 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5531 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 178164

MS-MS Spectrum 178165

MS-MS Spectrum 5528 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 178166

1D-NMR-Links

1D NMR Spectrum 1771 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Staphylococcus Aureus	n/a		Preti et. al., 2009
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Bacteria	Bacteroides Fragilis	Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.		Hinton and Hume, 1995
Bacteria	Veillonella Spp.	Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.		Hinton and Hume, 1995
Bacteria	Bacteroides Distasonis	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Fragilis		clinical exudates	Julak et al. 2003
Bacteria	Bacteroides Pyogenes		clinical exudates	Julak et al. 2003
Bacteria	Bacteroides Thetaiotamicron	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Vulgatus	n/a		Wiggins et al., 1985
Bacteria	Clostridium Bifermentans		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Difficile		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Perfringens		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Ramosum		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Septicum		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Clostridium Sporogenes	n/a		Wiggins et al., 1985
Bacteria	Enterobacter Cloacae		clinical exudates	Julak et al. 2003
Bacteria	Eubacterium Lentum		clinical exudates	Julak et al. 2003
Bacteria	Peptococcus Niger		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Anaerobicus		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Asaccharolyticus		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Prevotii		clinical exudates	Julak et al. 2003
Bacteria	Porphyromonas Gingivalis FDC381	n/a		Kurita-Ochiai et al., 1995
Bacteria	Porphyromonas Gingivalis W83	n/a		Kurita-Ochiai et al., 1995
Bacteria	Prevotella Intermedia ATCC 25261	n/a		Kurita-Ochiai et al., 1995
Bacteria	Prevotella Loescheii ATCC 15930	n/a		Kurita-Ochiai et al., 1995
Bacteria	Salinispora Tropica CNB-440	na	marine sediment	Groenhagen et al., 2016
Fungi	Boletus Variegatus	n/a		Stotzky and Schenk, 1976
Fungi	Muscodor Albus			Ezra et al. 2004
Fungi	Penicillium Spp			Ezra et al. 2004
Fungi	Polysporus Sulfureus			Ezra et al. 2004
Bacteria	Staphylococcus Xylosus	n/a		Schulz and Dickschat, 2007
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees et al 2016
Fungi	Muscodor Crispans	n/a		Mitchell et al., 2010
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Staphylococcus Aureus	Blood agar/chocolate blood aga	HS-SPME/GC-MS
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Bacteria	Bacteroides Fragilis	n/a	n/a
Bacteria	Veillonella Spp.	n/a	n/a
Bacteria	Bacteroides Distasonis	n/a	n/a
Bacteria	Bacteroides Fragilis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Bacteroides Pyogenes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Bacteroides Thetaiotamicron	n/a	n/a
Bacteria	Bacteroides Vulgatus	n/a	n/a
Bacteria	Clostridium Bifermentans	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Difficile	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Perfringens	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Ramosum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Septicum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Clostridium Sporogenes	n/a	n/a
Bacteria	Enterobacter Cloacae	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Eubacterium Lentum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptococcus Niger	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptostreptococcus Anaerobicus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptostreptococcus Asaccharolyticus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptostreptococcus Prevotii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Porphyromonas Gingivalis FDC381	n/a	n/a
Bacteria	Porphyromonas Gingivalis W83	n/a	n/a
Bacteria	Prevotella Intermedia ATCC 25261	n/a	n/a
Bacteria	Prevotella Loescheii ATCC 15930	n/a	n/a
Bacteria	Salinispora Tropica CNB-440	seawater-based A1	GC/MS
Fungi	Boletus Variegatus	n/a	n/a
Fungi	Muscodor Albus			no
Fungi	Penicillium Spp			no
Fungi	Polysporus Sulfureus			no
Bacteria	Staphylococcus Xylosus	n/a	n/a
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Fungi	Muscodor Crispans	potato dextrose agar	SPME-GC-MS
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/GC-MS

1,2-xylene

Mass-Spectra

Compound Details

Synonymous names

ortho-dimethylbenzene

orthoxylene

CTQNGGLPUBDAKN-UHFFFAOYSA-N

o-Dimethylbenzene

dimethyl-benzene

o-Methyltoluene

Ortho-Xylene

OXE

Xylenes ACS

2-Methyltoluene

o-Xylenes

AC1L1OBD

O-XYLENE

o-Xylene, Spectrophotometric Grade

o-Xylol

Xylene mixture of isomers

2-Xylene

m,p-Xylene

o-Xylene, analytical standard

1,2-Dimethylbenzene

1,2-Dimethylbenzol

Benzene, dimethyl-, chloromethylated

188l

KSC174O2H

Xylene, o-isomer

CHEMBL45005

Benzene, o-dimethyl-

CCRIS 905

CTK0H4723

HSDB 134

o-Xylene, HPLC Grade

S0650

1,2-Xylene

3,4-Xylene

ACMC-209rz0

BENZENE,1,2-DIMETHYL

NSC60920

o-Xylene, secondary standard traceable to NIST

Xylene, o-

bmse000526

C07212

Z2474E14QP

ZINC968282

DTXSID3021807

LS-1976

OR000301

OR245567

OR248479

OR380402

OR380403

SBB040816

STL264206

ZB015548

CHEBI:28063

DSSTox_CID_1807

o-XYLENE- D10

UNII-Z2474E14QP

AN-24318

AN-49093

ANW-40522

DSSTox_GSID_21807

METHYL,(2-METHYLPHENYL)-

NSC 60920

NSC-60920

o-Xylene, spectrophotometric grade, 98%

BDBM50008560

DSSTox_RID_76340

MFCD00008519

O-XYLENE-ALPHA,ALPHA,ALPHA,ALPHA',ALPHA',ALPHA'-D6

WLN: 1R B1

ZINC00968282

AI3-08197

RTR-033017

ST50214390

TR-004510

TR-033017

AKOS000269058

I01-4412

I01-8965

o-Xylene, anhydrous, 97%

Benzene, 1,2-dimethyl-

FT-0645147

FT-0688168

95-47-6

o-Xylene, for synthesis, 98%

Tox21_200658

F1908-0112

CAS-95-47-6

o-Xylene, for HPLC, 98%

MCULE-2208963094

NCGC00091662-01

NCGC00091662-02

NCGC00091662-03

NCGC00258212-01

EINECS 202-422-2

o-Xylene, reagent grade, >=98.0%

68411-84-7

849-EP2269975A2

849-EP2269977A2

849-EP2269986A1

849-EP2269988A2

849-EP2269989A1

849-EP2269990A1

849-EP2269993A1

849-EP2269997A2

849-EP2270113A1

849-EP2270114A1

849-EP2272516A2

849-EP2272537A2

849-EP2272813A2

849-EP2272822A1

849-EP2272830A1

849-EP2272832A1

849-EP2272841A1

849-EP2272849A1

849-EP2272935A1

849-EP2274983A1

849-EP2275105A1

849-EP2275395A2

849-EP2275403A1

849-EP2275404A1

849-EP2275407A1

849-EP2275409A1

849-EP2275410A1

849-EP2275411A2

849-EP2275414A1

849-EP2275415A2

849-EP2275427A1

849-EP2275469A1

849-EP2277848A1

849-EP2277858A1

849-EP2277865A1

849-EP2277871A1

849-EP2277878A1

849-EP2279750A1

849-EP2280000A1

849-EP2280001A1

849-EP2280005A1

849-EP2280009A1

849-EP2280011A1

849-EP2281810A1

849-EP2281812A1

849-EP2281816A1

849-EP2281818A1

849-EP2281821A1

849-EP2284159A1

849-EP2284160A1

849-EP2284165A1

849-EP2284174A1

849-EP2284920A1

849-EP2286811A1

849-EP2287141A1

849-EP2287152A2

849-EP2287159A1

849-EP2287167A1

849-EP2287940A1

849-EP2289509A2

849-EP2289868A1

849-EP2289876A1

849-EP2289884A1

849-EP2289887A2

849-EP2289888A2

849-EP2289896A1

849-EP2289965A1

849-EP2292227A2

849-EP2292586A2

849-EP2292592A1

849-EP2292593A2

849-EP2292597A1

849-EP2292599A1

849-EP2292606A1

849-EP2292609A1

849-EP2292612A2

849-EP2292624A1

849-EP2295406A1

849-EP2295409A1

849-EP2295412A1

849-EP2295413A1

849-EP2295414A1

849-EP2295421A1

849-EP2295425A1

849-EP2295426A1

849-EP2295427A1

849-EP2295433A2

849-EP2295437A1

849-EP2295438A1

849-EP2298731A1

849-EP2298744A2

849-EP2298747A1

849-EP2298750A1

849-EP2298756A1

849-EP2298763A1

849-EP2298766A1

849-EP2298767A1

849-EP2298768A1

849-EP2298770A1

849-EP2298775A1

849-EP2298777A2

849-EP2298828A1

849-EP2301922A1

849-EP2301924A1

849-EP2301925A1

849-EP2301928A1

849-EP2301934A1

849-EP2301936A1

849-EP2301983A1

849-EP2305625A1

849-EP2305640A2

849-EP2305641A1

849-EP2305642A2

849-EP2305649A1

849-EP2305651A1

849-EP2305655A2

849-EP2305658A1

849-EP2305667A2

849-EP2305668A1

849-EP2305672A1

849-EP2305676A1

849-EP2305677A1

849-EP2305685A1

849-EP2305686A1

849-EP2308471A1

849-EP2308562A2

849-EP2308838A1

849-EP2308840A1

849-EP2308844A2

849-EP2308845A2

849-EP2308846A2

849-EP2308849A1

849-EP2308850A1

849-EP2308853A1

849-EP2308854A1

849-EP2308857A1

849-EP2308858A1

849-EP2308869A1

849-EP2308877A1

849-EP2308926A1

849-EP2309564A1

849-EP2311801A1

849-EP2311802A1

849-EP2311803A1

849-EP2311804A2

849-EP2311808A1

849-EP2311810A1

849-EP2311813A1

849-EP2311815A1

849-EP2311816A1

849-EP2311817A1

849-EP2311826A2

849-EP2311829A1

849-EP2311830A1

849-EP2314558A1

849-EP2314579A1

849-EP2314583A1

849-EP2314584A1

849-EP2314586A1

849-EP2314587A1

849-EP2315502A1

849-EP2316832A1

849-EP2316833A1

849-EP2316836A1

849-EP2371795A1

849-EP2371797A1

849-EP2371798A1

849-EP2371800A1

849-EP2371804A1

849-EP2371805A1

849-EP2371810A1

849-EP2371814A1

849-EP2371831A1

849-EP2374783A1

849-EP2374895A1

849-EP2377841A1

849-EP2377845A1

849-EP2377847A1

849-EP2380568A1

849-EP2380873A1

o-Xylene, 99% 100ml

o-Xylene, SAJ special grade, >=98.5%

MolPort-016-899-217

o-Xylene [UN1307] [Flammable liquid]

15074-EP2272813A2

15074-EP2275395A2

15074-EP2316832A1

15074-EP2316833A1

15074-EP2380867A1

15075-EP2272813A2

15075-EP2275395A2

15075-EP2316832A1

15075-EP2316833A1

28308-EP2272813A2

28308-EP2275395A2

28308-EP2280005A1

28308-EP2289884A1

28308-EP2298738A1

28308-EP2305625A1

28308-EP2309584A1

28308-EP2314577A1

28308-EP2371831A1

28308-EP2380568A1

77824-EP2272846A1

77824-EP2275422A1

77824-EP2277868A1

77824-EP2277869A1

77824-EP2277870A1

77824-EP2292608A1

77824-EP2295436A1

77824-EP2298076A1

77824-EP2298077A1

77824-EP2298749A1

77824-EP2298762A2

77824-EP2298769A1

77824-EP2301353A1

77824-EP2305031A1

77824-EP2305034A1

77824-EP2305035A1

77824-EP2308866A1

77824-EP2371823A1

77824-EP2374791A1

o-Xylene [UN1307] [Flammable liquid]

o-Xylene, puriss. p.a., >=99.0% (GC)

InChI=1/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H

IUPAC name

1,2-xylene

SMILES

CC1=CC=CC=C1C

Inchi

InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3

Formula

C₆H₄(CH₃)₂

PubChem ID

7237

Molweight

106.168

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Benzenoids alkylbenzenes

mVOC Specific Details

Volatilization

The Henry's Law constant for 2-xylene has been measured as 5.18X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 2-xylene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.2 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.1 days(SRC). 2-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.65 mm Hg at 25 deg C(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 18: 1111-230 (1982) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp (1996)

Soil Adsorption

Koc values measured for 2-xylene in various soils (% organic matter) were 24 in Wendover silty clay (16.2%), 26 in Vaudreil sand loam (10.0%), 68 in St. Thomas sand (3.1%), and 138 in Grimsby silt loam (1.0%)(1). Batch adsorption tests, using three solid sandy aquifer materials gave a Koc of 129(2). The Koc for 2-xylene in surface sediments collected from the central Tamar estuary in the UK was 25.4(3). The Koc values for 2-xylene in two river sediments (% organic matter 6.5-16.9 wt%) was 209 and 251, respectively(4). According to a classification scheme(5), these measured Koc values suggests that 2-xylene is expected to have very high to moderate mobility in soil. Using OECD Guideline 121 (estimating Koc via HPLC), the Koc of 2-xylene was estimated to be 537(6). Concentration enhancement has been observed for 2-xylene in a dune-infiltration project on the Rhine River(7); however, no 2-xylene reached groundwater under a rapid infiltration site(8). The log Koc for 2-xylene in coal sediment (% organic matter 52 wt%) was 2.40(4).
Literature: (1) Nathwani JS, Phillip CR; Chemosphere 6: 157-62 (1977) (2) Abdul AS, Gibson TL, Rai DN; S Haz Waste Haz Mat 4: 211-22 (1987) (3) Vowles PD, Mantoura RFC; Chemosphere 16: 109-16 (1987) (4) Kopinke FD et al; Environ Sci Technol 29: 941-50 (1995) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) ECHA; Search for Chemicals. o-Xylene (CAS 95-47-6) Registered Substances Dossier. European Chemical Agency. Available from, as of June 20, 2015: http://echa.europa.eu/ (7) Piet GJ et al; Quality of groundwater. Van Dwjvenbooden W et al, eds; Studies in Environ Sci 17: 557-64 (1981) (8) Tomson MB et al; Water Res 15: 1109-16 (1981)

Vapor Pressure

Pressure	Reference
6.65 mm Hg at 25 deg C /extrapolated/	Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp (1996)

MS-Links

MS-MS Spectrum 118772

MS-MS Spectrum 62106

MS-MS Spectrum 62108

MS-MS Spectrum 118770

MS-MS Spectrum 118771

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Paecilomyces Variotii Bain	na	compost, soils, food products	Sunesson et al., 1995
Bacteria	Carnobacterium Divergens 9P	n/a		Ercolini et al., 2009
Bacteria	Pseudomonas Fragi 25P	n/a		Ercolini et al., 2009
Bacteria	Serratia Proteamaculans 42M	n/a		Ercolini et al., 2009

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Serratia Spp. B675	n/a	n/a
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Paecilomyces Variotii Bain	DG18,MEA	GC/MS
Bacteria	Carnobacterium Divergens 9P	n/a	n/a
Bacteria	Pseudomonas Fragi 25P	n/a	n/a
Bacteria	Serratia Proteamaculans 42M	n/a	n/a

2-ethylhexan-1-ol

Mass-Spectra

Compound Details

Synonymous names

Ethylhexanol

YIWUKEYIRIRTPP-UHFFFAOYSA-N

2-ethylhexylalcohol

2 Ethylhexanol

2-Aethylhexanol

2-Ethylhexanol

AC1L1PEC

2-Ethylhexyl alcohol

Exxal 8N

2-ETHYL HEXANOL

2-ethyl-hexanol

AC1Q2V9L

AC1Q7BK8

2-ethyl hexyl alcohol

Alcohol, 2-ethylhexyl

KSC175S7B

L260

ACMC-1B65F

ACMC-20msz8

CHEMBL31637

NSC9300

SCHEMBL16324

CTK0H5970

E0122

Ethylhexanol, 2-

2-Aethylhexanol [German]

LS-380

2-ethyl 1-hexanol

2-ETHYL-1-HEXANOL

2-Ethylhexan-1-ol

C02498

CCRIS 2292

DSSTox_CID_605

HMS2268N10

HSDB 1118

AK114196

DTXSID5020605

LP121394

NSC 9300

NSC-9300

OR025415

SBB059906

STL453673

CHEBI:16011

2-Ethyl-1-hexanol, analytical standard

ANW-15107

DSSTox_GSID_20605

TRA0052020

xi-2-Ethyl-1-hexanol

2-Ethyl-hexan-1-ol

DSSTox_RID_75686

LMFA05000703

MFCD00004746

AI3-00940

KB-170355

RTR-001032

ST24040552

ST51046173

TR-001032

AKOS000120105

AKOS016843836

W-109057

BRN 1719280

FEMA No. 3151

FT-0612231

FT-0627437

MLS002415694

SMR000112222

1-Hexanol, 2-ethyl-

I14-17807

Tox21_202071

Tox21_300019

WLN: Q1Y4 & 2

104-76-7

3B1-005666

2-Ethyl-1-hexanol, >=99%

MCULE-1768780358

NCGC00091294-01

NCGC00091294-02

NCGC00091294-03

NCGC00254215-01

NCGC00259620-01

Alcohols, C7-9-branched, C8-rich

CAS-104-76-7

EINECS 203-234-3

EINECS 295-250-2

2-Ethylhexan-1-ol, United States Pharmacopeia (USP) Reference Standard

91994-92-2

111675-57-1

128821-84-1

Alcohols, C7-9-iso-,C8-rich

2-Ethyl-1-hexanol, >=99.6%

MolPort-001-787-201

2-Ethyl-1-hexanol, >=99%, FG

33017-EP2305033A1

33017-EP2311815A1

33017-EP2371805A1

33017-EP2377844A2

2-Ethyl-1-hexanol, 99% 500ml

2-Ethyl-1-hexanol, SAJ first grade, >=99.0%

1-Hexanol, 2-ethyl-, (S)-

4-01-00-01783 (Beilstein Handbook Reference)

1070-10-6 (titanium(4+) salt)

2-Ethyl-1-hexanol, puriss., >=99.0% (GC)

InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H

IUPAC name

2-ethylhexan-1-ol

SMILES

CCCCC(CC)CO

Inchi

InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

Formula

C₈H₁₈O

PubChem ID

7720

Molweight

130.231

LogP

2.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

The Henry's Law constant for 2-ethylhexanol is estimated as 2.6X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.136 mm Hg(1), and water solubility, 880 mg/L(2). This Henry's Law constant indicates that 2-ethylhexanol is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 41 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 16 days(SRC). 2-Ethylhexanol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Ethylhexanol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds. New York, NY: Amer Inst for Phys Prop Data (1989) (2) Amidon GL et al; J Pharm Sci 63: 1858-66 (1974) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-ethylhexanol can be estimated to be 35(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-ethylhexanol is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Feb 5, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.136 mm Hg at 25 deg C	Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, 1985

MS-Links

MS-MS Spectrum 45283

MS-MS Spectrum 45284

MS-MS Spectrum 166698

MS-MS Spectrum 166700

MS-MS Spectrum 166699

MS-MS Spectrum 45282

1D-NMR-Links

1D NMR Spectrum 4028

1D NMR Spectrum 3770

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Carnobacterium Divergens 9P	n/a		Ercolini et al., 2009
Bacteria	Carnobacterium Maltaromaticum	n/a		Ercolini et al., 2009
Bacteria	Pseudomonas Aurantiaca	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Chlororaphis	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Corrugate	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Fluorescens	n/a		Fernando et al., 2005
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Fungi	Aspergillus Versicolor			Schleibinger et al.,2005
Fungi	Chaetomium Globosum			Schleibinger et al.,2005
Fungi	Eurotium Amstelodami			Schleibinger et al.,2005
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV 357	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014
Fungi	Penicillium Brevicompactum			Schleibinger et al.,2005
Fungi	Pleurotus Cystidiosus	na	na	Usami et al., 2014
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Rhizoctonia Solani AG2-2 IIIB		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Borchii	n/a		Splivallo et al., 2007
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Escherichia Coli DH5a	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Fungi	Aspergillus Versicolor Tiraboschi	na	damp indoor environments, food products	Sunesson et al., 1995

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Carnobacterium Divergens 9P	n/a	n/a
Bacteria	Carnobacterium Maltaromaticum	n/a	n/a
Bacteria	Pseudomonas Aurantiaca	n/a	n/a
Bacteria	Pseudomonas Chlororaphis	n/a	n/a
Bacteria	Pseudomonas Corrugate	n/a	n/a
Bacteria	Pseudomonas Fluorescens	n/a	n/a
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Fungi	Aspergillus Versicolor	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Chaetomium Globosum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Eurotium Amstelodami	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV 357	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Penicillium Brevicompactum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	No
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Rhizoctonia Solani AG2-2 IIIB	Potato Dextrose Agar9	Tenax TA / TDGC-MS	no
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Tuber Aestivum	n/a	n/a
Fungi	Tuber Borchii	n/a	n/a
Fungi	Tuber Melanosporum	n/a	n/a
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Escherichia Coli DH5a	TSA	SPME-GC	no
Bacteria	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Fungi	Aspergillus Versicolor Tiraboschi	MEA	GC/MS

Pentan-2-one

Mass-Spectra

Compound Details

Synonymous names

Metylopropyloketon

Ethylacetone

Methylpropyl ketone

Pentanone

XNLICIUVMPYHGG-UHFFFAOYSA-N

Ethyl acetone

METHYL PROPYL KETONE

Methyl-propyl-cetone

Propyl methyl ketone

Metylopropyloketon [Polish]

AC1L1PSR

AC1Q2UJA

2-pentanal

2-Pentanone

Methyl Propyl Ketone FCC

pentanone-2

3bh3

Methyl n-propyl ketone

n-propyl methyl ketone

AC1Q5CH9

UNII-Y4Y2BRI5UL component XNLICIUVMPYHGG-UHFFFAOYSA-N

2-Pentanone, analytical standard

KSC176A8R

Pentan-2-on

PENTAN-2-ONE

ACMC-1C29M

CHEMBL45345

n-C3H7COCH3

NSC5350

UN1249

CTK0H6088

HSDB 158

Methyl-propyl-cetone [French]

P0060

4-methyl-2-butanone

LS-442

RP18455

2-Pentanone (natural)

C01949

LTBB001864

WLN: 3V1

ZINC901192

DTXSID0021888

FEMA Number 2842

LP124906

NSC 5350

NSC-5350

OR034164

OR133565

OR133566

OR251179

UN 1249

ZB015252

A801775

CHEBI:16472

DSSTox_CID_1888

2-Pentanone, 90%

AN-42836

ANW-15861

CJ-04530

DSSTox_GSID_21888

I97392I10V

SC-22796

TRA0046903

DSSTox_RID_76386

LMFA12000003

MFCD00009400

ZINC00901192

AI3-32118

KB-174028

RTR-001876

TR-001876

UNII-I97392I10V

AKOS000121554

I11-0032

BRN 0506058

FEMA No. 2842

FT-0613263

2-Pentanone, reagent grade, >=90%

Tox21_201670

Tox21_303016

107-87-9

F0001-0145

MCULE-7174095676

NCGC00249095-01

NCGC00256617-01

NCGC00259219-01

2-Pentanone, ultrapure grade, >=99.5%

CAS-107-87-9

EINECS 203-528-1

2-Pentanone, 99% 25g

2-Pentanone, >=98%, FCC, FG

2-Pentanone, ReagentPlus(R), >=99%, purified by redistillation

Methyl propyl ketone [UN1249] [Flammable liquid]

MolPort-001-783-786

2-Pentanone, for HPLC, 99.5%

92819-EP2269986A1

92819-EP2287154A1

92819-EP2289879A1

92819-EP2305649A1

161716-EP2287158A1

Methyl propyl ketone [UN1249] [Flammable liquid]

4-01-00-03271 (Beilstein Handbook Reference)

InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H

IUPAC name

pentan-2-one

SMILES

CCCC(=O)C

Inchi

InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3

Formula

CH₃(CH₂)₂COCH₃

PubChem ID

7895

Molweight

86.134

LogP

1.25

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones Ketone

mVOC Specific Details

Volatilization

The Henry's Law constant for 2-pentanone is 8.36X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 2-pentanone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 12 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6.6 days(SRC). 2-Pentanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Pentanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 35.4 mm Hg(3).
Literature: (1) Shiu WY, Mackay D; J Chem Eng Data 42: 22-30 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification 4th ed. NY, NY: Wiley Interscience (1985)

Soil Adsorption

The Koc of 2-pentanone is estimated as 75(SRC), using a log Kow of 0.91(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-pentanone is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 14 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
35.4 mm Hg at 25 deg C	Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985.

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens UCMB5113	na	na	Asari et al., 2016
Bacteria	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Coagulase-negative Staphylococci	n/a		Hettinga et al., 2008
Bacteria	Collimonas Fungivorans Ter331	n/a		Garbeva et al., 2013
Bacteria	Collimonas Pratensis Ter91	n/a		Garbeva et al., 2013
Bacteria	Escherichia Coli	n/a		Hettinga et al., 2008
Bacteria	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Lactobacillus Casei		fermented milk	Gallegos et al. 2017
Bacteria	Lactobacillus Paracasei Subsp Paracasei		Spanish strain collection CECT	Gallegos et al. 2017
Bacteria	Lactobacillus Rhamnosus LSL 216	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Paenibacillus Sp. P4	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Pedobacter Sp. V48	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Proteus Vulgaris Sp.	na	na	Su et al., 2016
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	na	na	Su et al., 2016
Bacteria	Serratia Liquefaciens SM 1302	na	soil, water, plants; digestive tracts of rodents, insects, fish, humans	Schoeller et al., 1997
Bacteria	Serratia Plymuthica PRI-2C	na	maize rhizosphere, Netherlands	Garbeva et al., 2014
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Staphylococcus Aureus	n/a		Hettinga et al., 2008
Bacteria	Streptococcus Dysgalactiae	n/a		Hettinga et al., 2008
Bacteria	Streptococcus Uberis	n/a		Hettinga et al., 2008
Fungi	Aspergillus Niger	n/a		Meruva et al., 2004
Fungi	Aspergillus Ornatus	n/a		Meruva et al., 2004
Fungi	Chaetomium Globosum			Schleibinger et al.,2005
Fungi	Eurotium Amstelodami			Schleibinger et al.,2005
Fungi	Fusarium Graminearum			Busko et al. 2014
Fungi	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al 1991
Fungi	Pencillium Chrysogenum	None	None	Meruva et al., 2004
Fungi	Penicillium Brevicompactum			Schleibinger et al.,2005
Fungi	Penicillium Chrysogenum	n/a		Meruva et al., 2004
Fungi	Rhizoctonia Solani AG2-2 IIIB		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Melanosporum		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al., 2007b
Bacteria	Achromobacter Xylosoxidans AF411019	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Arthrobacter Nicotianae JQ071518	Nematicidal activity	cow dung	XU et al., 2015
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV 357	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014
Bacteria	Escherichia Coli		National collection of type cultures (NCTC) UK	Tait et al., 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens UCMB5113	TSA/LBA	GC/MS	No
Bacteria	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Coagulase-negative Staphylococci	Milk	HS-SPME/GC-MS
Bacteria	Collimonas Fungivorans Ter331	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Collimonas Pratensis Ter91	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Escherichia Coli	Milk	HS-SPME/GC-MS
Bacteria	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Lactobacillus Casei	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Paracasei Subsp Paracasei	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Rhamnosus LSL 216	curd-based broth medium	GC/MS	Yes
Bacteria	Paenibacillus Sp. P4	sand containing artificial root exudates	GC/MS	No
Bacteria	Pedobacter Sp. V48	sand containing artificial root exudates	GC/MS	No
Bacteria	Proteus Vulgaris Sp.	LB medium	SPME-GC/MS	No
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	LB medium	SPME-GC/MS	No
Bacteria	Serratia Liquefaciens SM 1302	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Serratia Plymuthica PRI-2C	sand containing artificial root exudates	GC/MS	No
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Staphylococcus Aureus	Milk	HS-SPME/GC-MS
Bacteria	Streptococcus Dysgalactiae	Milk	HS-SPME/GC-MS
Bacteria	Streptococcus Uberis	Milk	HS-SPME/GC-MS
Fungi	Aspergillus Niger	Tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Aspergillus Ornatus	Tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Chaetomium Globosum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Eurotium Amstelodami	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Fusarium Graminearum			no
Fungi	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Fungi	Pencillium Chrysogenum	Tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	Yes
Fungi	Penicillium Brevicompactum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Penicillium Chrysogenum	Tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Rhizoctonia Solani AG2-2 IIIB	Potato Dextrose Agar2	Tenax TA / TDGC-MS	yes
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Melanosporum			Yes
Bacteria	Achromobacter Xylosoxidans AF411019	LB liquid	SPME-GC/MS
Bacteria	Arthrobacter Nicotianae JQ071518	LB liquid	SPME-GC/MS
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV 357	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS
Bacteria	Escherichia Coli	milk samples	GC-MS(BPX-5)	no

Heptan-2-one

Mass-Spectra

Compound Details

Synonymous names

methylpentylketone

Butylacetone

2-heptanone_GurudeebanSatyavani

CATSNJVOTSVZJV-UHFFFAOYSA-N

Heptanone

Butyl acetone

HTX

Methyl pentyl ketone

Pentyl methyl ketone

1-Methylhexanal

Amyl methyl ketone

Amyl-methyl-cetone

Methyl amyl ketone

Methyl-amyl-cetone

Methyl-n-amylketone

2-Ketoheptane

2-Oxoheptane

2-heptanal

2-HEPTANONE

6-oxoheptyl

ACMC-1CMSN

heptanone-2

Ketone, methyl pentyl

Methyl n-pentyl ketone

n-Pentyl methyl ketone

AC1L1Q5I

Methyl n-amyl ketone

n-Amyl methyl ketone

2-Heptanone, analytical standard

Heptan-2-one

KSC175M3T

Methyl n-Amyl Ketone Reagent Grade

7785AF

CHEMBL18893

Ketone C-7

NSC7313

SCHEMBL29364

UN1110

CTK0H5639

HMDB03671

Nat. 2-Heptanone

Amyl-methyl-cetone [French]

Methyl Amyl Ketone (Fragrance Grade)

Methyl-amyl-cetone [French]

n-C5H11COCH3

RL00436

2-Heptanone (natural)

2-Heptanone(Methyl Amyl Ketone)

89VVP1B008

C08380

CCRIS 8809

CHEBI:5672

HSDB 1122

WLN: 5V1

2-OXOHEPTAN-3-YL

BBL011381

DTXSID5021916

FEMA Number 2544

Jsp000804

LP084116

LP100158

LP100159

LS-2784

NSC 7313

NSC-7313

OR034045

SBB061125

SCHEMBL1122991

STL146482

UN 1110

A802193

DSSTox_CID_1916

UNII-89VVP1B008

ZINC1531087

2-Heptanone, 98%

2-Heptanone, 99%

AN-22605

ANW-16152

CJ-05231

CJ-24088

DSSTox_GSID_21916

KB-68767

SC-19092

ACN-S002378

BB_SC-6722

BDBM50028842

DSSTox_RID_76400

LMFA12000004

MFCD00009513

ZINC01531087

AI3-01230

RTR-002152

ST51047182

TR-002152

AKOS000120708

I14-5855

J-509557

BRN 1699063

FEMA No. 2544

FT-0612484

TRA-0205300

Tox21_202164

Tox21_302935

110-43-0

MCULE-6017828463

NCGC00249180-01

NCGC00256611-01

NCGC00259713-01

CAS-110-43-0

EINECS 203-767-1

29299-43-2

2-Heptanone, natural, 98%, FG

2-Heptanone, >=98%, FCC, FG

2-Heptanone, 99% 100ml

MolPort-001-759-309

26073-EP2281810A1

26073-EP2289965A1

26073-EP2314558A1

n-Amyl methyl ketone [UN1110] [Flammable liquid]

4-01-00-03318 (Beilstein Handbook Reference)

InChI=1/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H

IUPAC name

heptan-2-one

SMILES

CCCCCC(=O)C

Inchi

InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

Formula

C₇H₁₄O

PubChem ID

8051

Molweight

114.188

LogP

2.14

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones Ketone

mVOC Specific Details

Volatilization

An experimental Henry's Law constant of 1.69X10-4 atm cu m/mole at 25 deg C(1) indicates that 2-heptanone is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 4.8 hours(SRC). The volatilization half- life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6 days(SRC). 2-Heptanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Heptanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.86 mm Hg(3).
Literature: (1) Shiu WY, Mackay, D; J Chem Eng Data 42: 27-30 (1997) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; Organic Solvents 4th ed. NY: Wiley Interscience (1986)

Soil Adsorption

The Koc of 2-heptonone is estimated as 280(SRC), using a log Kow of 1.98(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-heptanone is expected to have moderate mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 35 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
3.85 mm Hg at 25 deg C	Ambrose D et al; J Chem Therm 7: 453-72 (1975)

MS-Links

MS-MS Spectrum 2342 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179089

MS-MS Spectrum 5991 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 5992 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 179088

MS-MS Spectrum 2341 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 181413

MS-MS Spectrum 2340 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 181415

MS-MS Spectrum 179090

MS-MS Spectrum 181414

MS-MS Spectrum 5990 - EI-B (HITACHI RMU-6M) Positive

1D-NMR-Links

1D NMR Spectrum 4053

1D NMR Spectrum 1982 - Bruker 600 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Staphylococcus Aureus		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Bacillus Amyloliquefaciens UCMB5113	na	na	Asari et al., 2016
Bacteria	Burkholderia Ambifaria LMG 19182	n/a	rhizosphere	Groenhagen et al., 2013
Bacteria	Calothrix Parietina PCC 6303	n/a		Hoeckelmann et al., 2004
Bacteria	Coagulase Negative Staphylococci		milk of cows	Hettinga et al 2010
Bacteria	Cyanobacteria	n/a		Hoeckelmann et al., 2004
Bacteria	Escherichia Coli	n/a		Siripatrawan et al., 2008
Bacteria	Lactobacillus Casei		fermented milk	Gallegos et al. 2017
Bacteria	Lactobacillus Paracasei Subsp Paracasei		Spanish strain collection CECT	Gallegos et al. 2017
Bacteria	Lactobacillus Rhamnosus LSL 216	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Phormidium Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Proteus Vulgaris Sp.	na	na	Su et al., 2016
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	na	na	Su et al., 2016
Bacteria	Pseudomonas Chlororaphis 450	growth supressive effect on Agrobacterium tumefaciens C58 and Synechococcus sp. PCC 7942	Rhizosphere of maize, Kiev region, Ukraine	Popova et al., 2014
Bacteria	Rivularia Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Serratia Liquefaciens SM 1302	na	soil, water, plants; digestive tracts of rodents, insects, fish, humans	Schoeller et al., 1997
Bacteria	Serratia Marcescens Db11	n/a		Weise et al., 2014
Bacteria	Serratia Odorifera DSM 4582	n/a		Weise et al., 2014
Bacteria	Serratia Proteamaculans 568	n/a		Weise et al., 2014
Bacteria	Serratia Proteamaculans 94	na	spoiled meat	Popova et al., 2014
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Staphylococcus Aureus	n/a		Hettinga et al., 2008
Bacteria	Streptococcus Dysgalactiae		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Uberis		milk of cows	Hettinga et al 2010
Fungi	Aspergillus Flavus NRRL 18543	n/a		Beck et al., 2012
Fungi	Aspergillus Flavus NRRL 25347	n/a		Beck et al., 2012
Fungi	Aspergillus Niger NRRL 326	n/a		Beck et al., 2012
Fungi	Aspergillus Parasiticus NRRL 5862	n/a		Beck et al., 2012
Fungi	Ceratocystis Sp.	n/a		Stotzky and Schenk, 1976
Fungi	Chaetomium Globosum			Schleibinger et al.,2005
Fungi	Ganoderma Lucidum	na	saprophytic on deciduous trees	Ziegenbein et al., 2006
Fungi	Penicillium Glabrum NRRL 766	n/a		Beck et al., 2012
Fungi	Penicillium Sp.	n/a		Bjurman et al., 1997
Fungi	Phoma Sp. GS8-3	na	na	Naznin et al., 2014
Fungi	Pleurotus Cystidiosus	na	na	Usami et al., 2014
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Rhizopus Stolonifer NRRL 54667	n/a		Beck et al., 2012
Fungi	Thielaviopsis Basicola	n/a		Stotzky and Schenk, 1976
Fungi	Trichoderma Atroviride	n/a		Crutcher et al., 2013
Fungi	Trichoderma Reesei	n/a		Crutcher et al., 2013
Fungi	Trichoderma Virens	n/a		Crutcher et al., 2013
Fungi	Trichoderma Viride	n/a		Hung et al., 2013
Fungi	Tuber Aestivum	na	Tarsul (as normal forest); Daix (man made orchard)	Molinier et al., 2015
Fungi	Tuber Indicum		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al., 2007b
Bacteria	Achromobacter Xylosoxidans AF411019	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Klebsiella Pneumoniae		clinical isolate,bacteremic patients	Rees et al. 2017
Bacteria	Proteus Hauseri JN092591	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Pseudochrobactrum Saccharolyticum AM180484	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2
Bacteria	Wautersiella Falsenii AM238687	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Xanthomonas Campestris Pv. Vesicatoria 85-10	n/a		Weise et al., 2012
Fungi	Trichoderma Atroviride ATCC 74058	n/a		Stoppacher et al., 2010

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Staphylococcus Aureus	milk samples	GC-MS(BPX-5)	no
Bacteria	Bacillus Amyloliquefaciens UCMB5113	na	GC/MS	No
Bacteria	Burkholderia Ambifaria LMG 19182	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Coagulase Negative Staphylococci		GCMS DSQ	no
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Escherichia Coli	Super broth made up of tryptone, yeast, NaCl	HS-SPME/GC-MS
Bacteria	Lactobacillus Casei	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Paracasei Subsp Paracasei	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Rhamnosus LSL 216	curd-based broth medium	GC/MS	Yes
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Proteus Vulgaris Sp.	LB medium	SPME-GC/MS	No
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	LB medium	SPME-GC/MS	No
Bacteria	Pseudomonas Chlororaphis 450	LB medium	SPME-GC/MS	No
Bacteria	Rivularia Sp.	n/a	n/a
Bacteria	Serratia Liquefaciens SM 1302	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Serratia Marcescens Db11	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Odorifera DSM 4582	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Proteamaculans 568	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Proteamaculans 94	LB medium	SPME-GC/MS	No
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Staphylococcus Aureus	Milk	HS-SPME/GC-MS
Bacteria	Streptococcus Dysgalactiae		GCMS DSQ	no
Bacteria	Streptococcus Uberis		GCMS DSQ	no
Fungi	Aspergillus Flavus NRRL 18543	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Flavus NRRL 25347	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Niger NRRL 326	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Parasiticus NRRL 5862	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Ceratocystis Sp.	n/a	n/a
Fungi	Chaetomium Globosum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Ganoderma Lucidum	na	GC/MS	No
Fungi	Penicillium Glabrum NRRL 766	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Penicillium Sp.	n/a	n/a
Fungi	Phoma Sp. GS8-3	na	SPME-GC/MS	No
Fungi	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	No
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Rhizopus Stolonifer NRRL 54667	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Thielaviopsis Basicola	n/a	n/a
Fungi	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS
Fungi	Tuber Aestivum	na	SPME-GC/MS	No
Fungi	Tuber Indicum			Yes
Bacteria	Achromobacter Xylosoxidans AF411019	LB liquid	SPME-GC/MS
Bacteria	Klebsiella Pneumoniae	BHI, LB, MHB, TSB	SPME / GCxGC-TOFMS
Bacteria	Proteus Hauseri JN092591	LB liquid	SPME-GC/MS
Bacteria	Pseudochrobactrum Saccharolyticum AM180484	LB liquid	SPME-GC/MS
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a	n/a
Bacteria	Wautersiella Falsenii AM238687	LB liquid	SPME-GC/MS
Bacteria	Xanthomonas Campestris Pv. Vesicatoria 85-10	NBII	Closed airflow-system/GC-MS and PTR-MS
Fungi	Trichoderma Atroviride ATCC 74058	Potato dextrose agar	HS-SPME/GC-MS

Undecan-2-one

Mass-Spectra

Compound Details

Synonymous names

Methylnonylketone

UNDECANONE

KYWIYKKSMDLRDC-UHFFFAOYSA-N

Rue ketone

Nonyl methyl ketone

Methyl nonyl ketone

2-Hendecanone

2-Oxoundecane

2-Undecanone

AC1L1QEM

2-undecanon

Methyl Nonyl Ketone FCC

YV5DSO8CY9

METHYL N-NONYL KETONE

Ketone, methyl nonyl

AC1Q5H8X

UNII-YV5DSO8CY9

Undecan-2-one

KSC176M2T

L352

MGK Dog and Cat Repellent

ACMC-1C77Q

Mgk dog & cat repellent

NSC4028

U0006

CTK0H6629

DB08688

SCHEMBL117635

SCHEMBL249443

Undecanone-(2)

C01875

HSDB 7431

WLN: 9V1

2-Undecanone (natural)

SBB060389

AN-1415

NSC-4028

NSC 4028

STL146552

LS-3143

LP003930

Jsp000923

BBL011441

CHEMBL1236582

DTXSID2021943

ZINC1529305

CHEBI:17700

DSSTox_CID_1943

A802493

DSSTox_GSID_21943

ANW-16393

Caswell No. 573O

2-Undecanone, 99%

LMFA12000002

BB_SC-6944

MFCD00009583

DSSTox_RID_76418

AI3-03081

TR-002375

ST51046579

RTR-002375

Q-201393

EPA Pesticide Chemical Code 044102

Methyl nonyl ketone (MNK)
Nonyl methyl ketone
Methyldecananone
2-Hendecanone
Undecanone
IBI-246

BB_SC-06944

AKOS005720838

FEMA No. 3093

FT-0613466

BRN 1749573

I14-10598

2-Undecanone, natural, FCC, FG

Tox21_301385

112-12-9

MCULE-6858373499

NCGC00255160-01

NCGC00164003-01

CAS-112-12-9

EINECS 203-937-5

53452-70-3

2-Undecanone, >=98%, FCC, FG

MolPort-003-933-723

IUPAC name

undecan-2-one

SMILES

CCCCCCCCCC(=O)C

Inchi

InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

Formula

C₁₁H₂₂O

PubChem ID

8163

Molweight

170.296

LogP

3.92

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones Ketone

mVOC Specific Details

Boiling Point

Degree	Reference
231.5 deg C	Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5: 5176

Volatilization

The Henry's Law constant for 2-undecanone is 6.36X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 2-undecanone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 13 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 11 days(SRC). 2-Undecanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Undecanone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.1X10-2 mm Hg(3).
Literature: (1) Buttery RG et al: J Agric Food Chem 17:385-9 (1960) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY,NY: McGraw-Hill 6th ed (1984)

Solubility

Insoluble in water. Soluble in ethanol, ether, acetone, benzene, carbon tetrachloride, chloroform.
Literature: Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5: 5176
Literature: #In water, 20 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Mar 3, 2006: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-undecanone can be estimated to be 278(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-undecanone is expected to have moderate mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
4.1X10-2 mm Hg	Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)

MS-Links

MS-MS Spectrum 131752

MS-MS Spectrum 72760

MS-MS Spectrum 131751

MS-MS Spectrum 72761

MS-MS Spectrum 131753

MS-MS Spectrum 72759

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens IN937a	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Cereus ATCC 14570		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Bacillus Polymyxa ATCC 842		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Subtilis GB03	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Burkholderia Ambifaria LMG 17828	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere	Groenhagen et al., 2013
Bacteria	Burkholderia Ambifaria LMG 19182	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere	Groenhagen et al., 2013
Bacteria	Burkholderia Andropogonis LMG 2129	n/a		Blom et al., 2011
Bacteria	Burkholderia Caribensis LMG 18531	n/a		Blom et al., 2011
Bacteria	Burkholderia Caryophylli LMG 2155	n/a		Blom et al., 2011
Bacteria	Burkholderia Cepacia LMG 1222	n/a		Blom et al., 2011
Bacteria	Burkholderia Cepacia LMG 1222 358		Rhizosphere	Blom et al., 2011
Bacteria	Burkholderia Fungorum LMG 16225	n/a		Blom et al., 2011
Bacteria	Burkholderia Gladioli LMG 2216	n/a		Blom et al., 2011
Bacteria	Burkholderia Glathei LMG 14190	n/a		Blom et al., 2011
Bacteria	Burkholderia Glumae LMG 2196	n/a		Blom et al., 2011
Bacteria	Burkholderia Graminis LMG 18924	n/a		Blom et al., 2011
Bacteria	Burkholderia Hospita LMG 20598	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 22485	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 6993	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenazinium LMG 2247	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenoliruptrix LMG 22037	n/a		Blom et al., 2011
Bacteria	Burkholderia Phytofirmans LMG 22487	n/a		Blom et al., 2011
Bacteria	Burkholderia Pyrrocinia LMG 21822	n/a		Blom et al., 2011
Bacteria	Burkholderia Terricola LMG 20594	n/a		Blom et al., 2011
Bacteria	Burkholderia Tropica LMG 22274	n/a		Blom et al., 2011
Bacteria	Burkholderia Xenovorans LMG 21463	n/a		Blom et al., 2011
Bacteria	Chromobacterium Violaceum CV0	n/a		Blom et al., 2011
Bacteria	Citrobacter Freundii ATCC 33128		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Corynebacterium Accolens V12028		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Jeikeum V12131		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Jeikeum V12209		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Minutissimum ATCC 23348		clinical isolate,trunk of adult female	Lemfack et al. 2016
Bacteria	Corynebacterium Striatum RV2		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Striatum V6894		clinical isolate	Lemfack et al. 2016
Bacteria	Enterobacter Aerogenes ATCC 13048		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Enterobacter Aerogenes KY2		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Enterobacter Cloacae ATCC 13047		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Enterococcus Durans ATCC 19432		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Enterococcus Faecium ATCC 19434		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Escherichia Coli	n/a		Elgaali et al., 2002
Bacteria	Escherichia Coli ATCC 25922		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Escherichia Coli O157:H7		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Escherichia Coli OP50	n/a		Blom et al., 2011
Bacteria	Klebsiella Pneumoniae	n/a		Elgaali et al., 2002
Bacteria	Lactobacillus Lactis ATCC 11454		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Lactobacillus Lactis ATCC 11955		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Lactobacillus Rhamnosus LSL 222	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Leuconostoc Mesenteroides ATCC 8086		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Listeria Monocytogenes ATCC 19115		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Pandoraea Norimbergensis LMG 18379	n/a		Blom et al., 2011
Bacteria	Pseudomonas Aeruginosa PA01	na	na	Briard et al., 2016
Bacteria	Pseudomonas Aurantiaca	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Brassicacearum USB2101	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Brassicacearum USB2102	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Brassicacearum USB2104	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Chlororaphis	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Chlororaphis 450	inhibits growth of Synechococcus sp. PCC 7942 and Rhizoctonia solani, kills Caenorhabditis elegans	Rhizosphere of maize, Kiev region, Ukraine	Popova et al., 2014
Bacteria	Pseudomonas Corrugate	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Fluorescens	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Fluorescens ATCC 13525		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Pseudomonas Fluorescens WCS 417r	n/a		Blom et al., 2011
Bacteria	Pseudomonas Jessenii S34	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Putida ISOf	n/a		Blom et al., 2011
Bacteria	Pseudomonas Putida USB2105	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Tolaasii NCPPB 2192	na	na	Cantore et al., 2015
Bacteria	Pseudomonas Tolaasii USB66	na	na	Cantore et al., 2015
Bacteria	Salmonella Enterica Serovar Enteritidis		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Salmonella Paratyphi KY		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Schewanella Putrefaciens ATCC 8071		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Serratia Entomophilia A1MO2	n/a		Blom et al., 2011
Bacteria	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Serratia Marcescens Db11	n/a		Weise et al., 2014
Bacteria	Serratia Marcescens MG1	n/a		Blom et al., 2011
Bacteria	Serratia Odorifera DSM 4582	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica 4Rx13	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica AS9	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica HRO-C48	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica IC14	n/a		Blom et al., 2011
Bacteria	Serratia Proteamaculans 568	n/a		Weise et al., 2014
Bacteria	Serratia Proteamaculans B5a	n/a		Blom et al., 2011
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Shigella Flexneri CGCMCC 1.1868		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Shigella Sonnei		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Shigella Sonnei ATCCV 25931		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Staphylococcus Epidermidis ATCC 12228			Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis ATCC 14990		clinical isolate,nose	Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis DSM 3269		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis RP62A		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Haemolyticus CCM 2729		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Staphylococcus Saccharolyticus B5709		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi DSMZ 4807		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi H34		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi V431		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Warneri CCM 2730		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	n/a		Blom et al., 2011
Bacteria	Streptococcus Agalactiae ATCC 27541		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Streptococcus Thermophilus ATCC 14485		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Fungi	Aspergillus Sp.			Takeuchi et al. 2015
Fungi	Fusarium Solani			Takeuchi et al. 2013
Fungi	Ganoderma Lucidum	na	saprophytic on deciduous trees	Ziegenbein et al., 2006
Fungi	Penicillium Spp			Takeuchi et al. 2016
Fungi	Pleurotus Cystidiosus	na	na	Usami et al., 2014
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006
Fungi	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Trichoderma Atroviride ATCC 74058	n/a		Stoppacher et al., 2010
Fungi	Trichoderma Reesei			Crutcher et al., 2013
Fungi	Trichoderma Virens			Crutcher et al., 2013
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Borchii	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al., 2007b
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Serratia Sp.	Might be involved in inhibition of fungal growth.		Schulz and Dickschat, 2007
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a		Dickschat et al., 2005_5
Bacteria	Stigmatella Aurantiaca Sg A15	n/a		Dickschat et al., 2005_5
Bacteria	Wautersiella Falsenii AM238687	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Xanthomonas Campestris Pv. Vesicatoria 85-10	n/a		Weise et al., 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Cereus ATCC 14570	TS broth	GC-MS SPME	yes
Bacteria	Bacillus Polymyxa ATCC 842	TS broth	GC-MS SPME	yes
Bacteria	Bacillus Simplex	n/a	n/a
Bacteria	Bacillus Subtilis	n/a	n/a
Bacteria	Bacillus Subtilis GB03	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Weihenstephanensis	n/a	n/a
Bacteria	Burkholderia Ambifaria LMG 17828	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Burkholderia Ambifaria LMG 19182	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Burkholderia Andropogonis LMG 2129	LB and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caribensis LMG 18531	LB and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caryophylli LMG 2155	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Cepacia LMG 1222	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Cepacia LMG 1222 358	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	Yes
Bacteria	Burkholderia Fungorum LMG 16225	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Gladioli LMG 2216	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glathei LMG 14190	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glumae LMG 2196	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Graminis LMG 18924	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Hospita LMG 20598	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 22485	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 6993	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phenazinium LMG 2247	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phenoliruptrix LMG 22037	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phytofirmans LMG 22487	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Pyrrocinia LMG 21822	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Terricola LMG 20594	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Tropica LMG 22274	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Xenovorans LMG 21463	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Chromobacterium Violaceum CV0	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Citrobacter Freundii ATCC 33128	TS broth	GC-MS SPME	yes
Bacteria	Corynebacterium Accolens V12028	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Jeikeum V12131	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Jeikeum V12209	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Minutissimum ATCC 23348	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Striatum RV2	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Striatum V6894	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Enterobacter Aerogenes ATCC 13048	TS broth	GC-MS SPME	yes
Bacteria	Enterobacter Aerogenes KY2	TS broth	GC-MS SPME	yes
Bacteria	Enterobacter Cloacae ATCC 13047	TS broth	GC-MS SPME	yes
Bacteria	Enterococcus Durans ATCC 19432	TS broth	GC-MS SPME	yes
Bacteria	Enterococcus Faecium ATCC 19434	TS broth	GC-MS SPME	yes
Bacteria	Escherichia Coli	TS broth	HS-SPME/GC-MS
Bacteria	Escherichia Coli ATCC 25922	TS broth	GC-MS SPME	yes
Bacteria	Escherichia Coli O157:H7	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Escherichia Coli OP50	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Klebsiella Pneumoniae	TS broth	HS-SPME/GC-MS
Bacteria	Lactobacillus Lactis ATCC 11454	TS broth	GC-MS SPME	yes
Bacteria	Lactobacillus Lactis ATCC 11955	TS broth	GC-MS SPME	yes
Bacteria	Lactobacillus Rhamnosus LSL 222	curd-based broth medium	GC/MS	Yes
Bacteria	Leuconostoc Mesenteroides ATCC 8086	TS broth	GC-MS SPME	yes
Bacteria	Listeria Monocytogenes ATCC 19115	TS broth	GC-MS SPME	yes
Bacteria	Microbacterium Oxydans	n/a	n/a
Bacteria	Pandoraea Norimbergensis LMG 18379	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Aeruginosa PA01	minimal medium/ Brian medium	SPME-GC/MS	No
Bacteria	Pseudomonas Aurantiaca	n/a	n/a
Bacteria	Pseudomonas Brassicacearum USB2101	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Brassicacearum USB2102	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Brassicacearum USB2104	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Chlororaphis	n/a	n/a
Bacteria	Pseudomonas Chlororaphis 450	LB medium	SPME-GC/MS	No
Bacteria	Pseudomonas Corrugate	n/a	n/a
Bacteria	Pseudomonas Fluorescens	n/a	n/a
Bacteria	Pseudomonas Fluorescens ATCC 13525	TS broth	GC-MS SPME	yes
Bacteria	Pseudomonas Fluorescens WCS 417r	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Jessenii S34	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Putida ISOf	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Putida USB2105	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Tolaasii NCPPB 2192	KB	SPME-GC
Bacteria	Pseudomonas Tolaasii USB66	KB	SPME-GC
Bacteria	Salmonella Enterica Serovar Enteritidis	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Salmonella Paratyphi KY	TS broth	GC-MS SPME	yes
Bacteria	Schewanella Putrefaciens ATCC 8071	TS broth	GC-MS SPME	yes
Bacteria	Serratia Entomophilia A1MO2	LB and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Marcescens	n/a	n/a
Bacteria	Serratia Marcescens Db11	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Marcescens MG1	LB, MS, Angle and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Odorifera DSM 4582	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica 4Rx13	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica AS9	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica HRO-C48	LB, MS and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica IC14	LB, MS, Angle and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Proteamaculans 568	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Proteamaculans B5a	LB, MS and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Shigella Flexneri CGCMCC 1.1868	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Shigella Sonnei	TS broth	GC-MS Super Q	yes
Bacteria	Shigella Sonnei ATCCV 25931	TS broth	GC-MS SPME	yes
Bacteria	Staphylococcus Epidermidis ATCC 12228	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis ATCC 14990	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis DSM 3269	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis RP62A	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Haemolyticus CCM 2729	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Saccharolyticus B5709	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi DSMZ 4807	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi H34	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi V431	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Warneri CCM 2730	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Stenotrophomonas Maltophilia	n/a	n/a
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Streptococcus Agalactiae ATCC 27541	TS broth	GC-MS SPME	yes
Bacteria	Streptococcus Thermophilus ATCC 14485	TS broth	GC-MS SPME	yes
Bacteria	Streptomyces Lateritius	n/a	n/a
Fungi	Aspergillus Sp.			no
Fungi	Fusarium Solani			no
Fungi	Ganoderma Lucidum	na	GC/MS	No
Fungi	Penicillium Spp			no
Fungi	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	No
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Spongiporus Leucomallellus	na	GC/MS	No
Fungi	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Trichoderma Atroviride ATCC 74058	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Fungi	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Fungi	Tuber Aestivum	n/a	n/a
Fungi	Tuber Borchii	None	None	Yes
Fungi	Tuber Melanosporum	n/a	n/a
Bacteria	Serratia Sp.	n/a	n/a
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a	n/a
Bacteria	Stigmatella Aurantiaca Sg A15	n/a	n/a
Bacteria	Wautersiella Falsenii AM238687	LB liquid	SPME-GC/MS
Bacteria	Xanthomonas Campestris Pv. Vesicatoria 85-10	NBII	Closed airflow-system/GC-MS and PTR-MS

2-methylbutanoic Acid

Mass-Spectra

Compound Details

Synonymous names

Ethylmethylacetate

Methylbutyricacid

Ethylmethylacetic acid

Methylethylacetic acid

cavity conditioner

Methylbutyric acid

WLAMNBDJUVNPJU-UHFFFAOYSA-N

alpha-Methylbutyric acid

GC Conditioner

2-Ethylpropionate

2-Methylbutyrate

2-methylbutans

Active valeric acid

Methyl butyric acid

2-Ethylpropionic acid

2-Methylbutanoic acid

AC1Q5RQD

alpha-methyl butyric Acid

2-Methybutyric acid

2-METHYLBUTYRIC ACID

DL-2-Methylbutyrate

ethyl methyl acetic acid

NATURAL 2-METHYLBUTYRIC ACID

2-Methyl Butyrate

AC1L1QQ8

AC1Q2S2W

ACMC-20apgr

butane-2-carboxylic acid

Valeric acid, active

.alpha.-Methylbutyric acid

2-methyl-butanoic acid

2-Methylbutyric acid, analytical standard

DL-2-Methylbutyric acid

PAA170

PAA20 cpd

PAA60 cpd

2-Methyl butyric acid

2-methyl-butyric acid

Carbomer 941

carbomer-934

Carbopol 910

Carbopol 934

Carbopol 974P

KSC174S5L

Pemulen TR-1

Pemulen TR-2

2-Methyl-Butyric Acid Anion

Butanoic acid, methyl-

D-2-Methyl Butyrate

DL-2-Methy Butyrate

NSC7304

SCHEMBL49960

Carbomer 1342

Carbopol 1342

CTK0H4955

DL-ALPHA-METHYL-N-BUTYRIC ACID

HMDB02176

M0181

Butanoicacid, 2-methyl-

D-2-Methyl Butyric acid

DL-2-Methy Butyric acid

RP18771

VC31128

2-Methylbutyric acid (natrual)

C18319

HMS2270O06

LTBB002136

AM802977

CHEMBL1160012

DTXSID5021621

LS-2915

NSC 7304

NSC-7304

OR129719

OR129720

OR206578

2-METHYLBUTANOIC ACID (DL)

2-Methylbutyric acid (VAN)

A811487

CHEBI:37070

DSSTox_CID_1621

Nat. 2-Methyl Butyric Acid

2-Methylbutyric acid, 98%

AB1011869

AK-77434

AN-21587

AN-22760

AN-49786

ANW-16971

Butanoic acid, 2-methyl-

DSSTox_GSID_21621

KB-25100

LS-14739

Polymer of acrylic acid, cross-linked with allyl ethers of pentaerythritol

SC-22738

TRA0047814

Butyric acid, 2-methyl-

DSSTox_RID_76241

LMFA01020072

MFCD00002669

AI3-24202

CS-W001942

DB-003300

KB-231694

RTR-032178

RTR-033536

ST24028102

TR-032178

TR-033536

(1)-2-Methylbutyric acid

AKOS000121120

AKOS016843247

Carbomer 934 [USAN]

Carbomer 934p [USAN]

Carbomer 940 [USAN]

I04-0220

J-509893

Polymer of acrylic acid, cross-linked with allyl ethers of sucrose or pentaerythritol

(+)-2-methylbutanoic acid

(RS)-2-methyl-butyric acid

BRN 1098537

FEMA No. 2695

FT-0604458

FT-0605255

FT-0671578

MLS001055480

SMR000112113

I04-12788

Polymer of 2-propenoic acid, cross-linked with allyl ethers of pentaerythritol

2-Methylbutyric acid, >=98%, FG

Tox21_201807

Tox21_303584

116-53-0

600-07-7

F0001-0289

Z1245580532

Polymer of 2-propenoic acid, cross-linked with allyl ethers of sucrose or pentaerythritol

MCULE-5615925204

NCGC00090971-01

NCGC00090971-02

NCGC00257513-01

NCGC00259356-01

Polymer of 2-propenoic acid, cross-linked with allyl ethers of sucrose

(+/-)-2-Methylbutyrate

2-Methylbutyric acid; ( inverted exclamation markA)-2-Methylbutyric acid

CAS-116-53-0

EINECS 204-145-2

EINECS 209-982-7

(+/-)-2-Methylbutyric acid

MolPort-001-779-742

MolPort-039-193-764

Butyric acid, 2-methyl- (6CI,8CI)

(.+/-.)-2-Methylbutanoic acid

Butanoic acid, 2-methyl-, (S)-

Polymer of acrylic acid, cross-linked with allyl ethers of pentaerythritol. Molecular weight is approximately 750,000

4-02-00-00889 (Beilstein Handbook Reference)

Butanoic acid, 2-methyl-, (+ -)

Polymer of acrylic acid, cross-linked with allyl ethers of sucrose or pentaerythritol. Molecular weight is approximately 3,000,000

(+/-)-2-Methylbutyric acid, natural, >=98%, FG

Polymer of acrylic acid, cross-linked with allyl ethers of sucrose. Molecular weight is approximately 3,000,000

The viscosity of a neutralized 1.0 percent aqueous dispersion of Carbomer 1342 is between 9,500 and 26,500 centipoises

IUPAC name

2-methylbutanoic acid

SMILES

CCC(C)C(=O)O

Inchi

InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)

Formula

C₅H₁₀O₂

PubChem ID

8314

Molweight

102.133

LogP

1.46

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids esters

mVOC Specific Details

MS-Links

MS-MS Spectrum 6341 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 10691

MS-MS Spectrum 17365

MS-MS Spectrum 10692

1D-NMR-Links

1D NMR Spectrum 1860 - Varian 500 MHz 1H NMR

1D NMR Spectrum 3810

1D NMR Spectrum 4075

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Staphylococcus Aureus	n/a		Preti et. al., 2009
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Bacteria	Staphylococcus Aureus	n/a		Hettinga et al., 2008
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees et al 2016
Bacteria	Lactobacillus Paracasei LSL 248	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Staphylococcus Aureus		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Bacteria	Staphylococcus Sciuri	attract Episyrphus balteatus; induced E. balteatus oviposition	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Bacteria	Staphylococcus Xylosus	n/a		Schulz and Dickschat, 2007
Fungi	Aspergillus Ustus			Polizzi et al., 2012
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a		Dickschat et al., 2005_5
Fungi	Muscodor Albus			Ezra et al. 2006
Fungi	Penicillium Spp			Ezra et al. 2006
Fungi	Polysporus Sulfureus			Ezra et al. 2006
Bacteria	Corynebacterium Striatum RV2		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Striatum V6894		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis ATCC 12228			Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis ATCC 14990		clinical isolate,nose	Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis DSM 3269		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis RP62A		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Haemolyticus CCM 2729		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Staphylococcus Intermedius 9S		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Saccharolyticus B5709		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi DSMZ 4807		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi H34		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi V431		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri ATCC 29061		Southernflying squirrel skin	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri H4286		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri OR		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri V405		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri Y		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Warneri CCM 2730		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Collimonas Pratensis TER91	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Mycobacterium Bovis	n/a		MCNerney et al., 2018

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Staphylococcus Aureus	Blood agar/chocolate blood aga	HS-SPME/GC-MS
Bacteria	Serratia Spp. B675	n/a	n/a
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Bacteria	Staphylococcus Aureus	Milk	HS-SPME/GC-MS
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Bacteria	Lactobacillus Paracasei LSL 248	curd-based broth medium	GC/MS	Yes
Bacteria	Staphylococcus Aureus	blood/choclate agar	GC-Ms flame photometric detector	no
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Staphylococcus Sciuri	874 liquid medium	SPME-GC/MS
Bacteria	Staphylococcus Xylosus	n/a	n/a
Fungi	Aspergillus Ustus	malt extract agar (MEA), wallpaper, plasterboard	SPME/GC-MS
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a	n/a
Fungi	Muscodor Albus			no
Fungi	Penicillium Spp			no
Fungi	Polysporus Sulfureus			no
Bacteria	Corynebacterium Striatum RV2	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Striatum V6894	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis ATCC 12228	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis ATCC 14990	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis DSM 3269	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis RP62A	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Haemolyticus CCM 2729	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Intermedius 9S	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Saccharolyticus B5709	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi DSMZ 4807	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi H34	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi V431	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri ATCC 29061	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri H4286	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri OR	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri V405	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri Y	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Warneri CCM 2730	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Collimonas Pratensis TER91	sand containing artificial root exudates	GC/MS	No
Bacteria	Mycobacterium Bovis	Loewenstein-Jensen media	Headspace analyze / SIFT-MS and TD-GC-MS.

Ethyl Acetate

Mass-Spectra

Compound Details

Synonymous names

Essigsaeureethylester

Acetoxyethane

Aethylacetat

Ethylacetaat

Ethylacetate

Essigester

Ethylazetat

Acetidin

Ethylester kyseliny octove

XEKOWRVHYACXOJ-UHFFFAOYSA-N

acet-ethylester

Acetate d'ethyle

Ethyl ethanoate

Vinegar naphtha

acetic acid ethylester

acetic-acid-ethylester

AcOEt

ehtyl acetate

ETHYL ACETATE

ethyl-acetate

EtOAc

Acetic ester

Acetic ether

Acetyl ester

EEE

ethyl acetat

Ethyl Acetate Natural

Ethyl acetate, Spectrophotometric Grade

Ethyl ester

Octan etylu

1-acetoxyethane

acetic ethyl ester

ethyl acetate ester

Ethyl acetic ester

Acetato de etilo

acetic acid ethyl

Ethyl acetate, analytical standard

Ethyl acetate, Environmental Grade

Nat.Ethyl Acetate

acet-eth-ester

Acetic acid ethyl ester

ACETIC ACID,ETHYL ESTER

ACMC-1BTXP

Ethyl acetate HPLC grade

Aethylacetat [German]

CH3COOC2H5

Ethyl Acetate Reagent Grade ACS

AC1L1RU4

AC1Q35EC

Essigester [German]

Ethyl Acetate, HPLC

Ethylacetaat [Dutch]

ETHYL ACETATE, ACS

Ethyl acetate, ACS reagent

Ethyl ester of acetic acid

Ethyle(acetate d')

Etile(acetato di)

Acetate d'ethyle [French]

Acetic acid, ethyl ester

Ethyl acetate, ACS grade

Ethyl acetate, HPLC Grade

Ethylester kyseliny octove [Czech]

HSDB 83

KSC492C3D

UNII-LM8ZO3J16V component XEKOWRVHYACXOJ-UHFFFAOYSA-N

CHEMBL14152

Ethyl acetate (natural)

Ethyl acetate, for HPLC

UN1173

A0030

c0036

CTK3J2131

E1504

Ethyl acetate GC, for residue analysis

Octan etylu [Polish]

Q0040

Q0044

Ethyl acetate (NF)

Ethyl acetate [NF]

Ethyle (acetate d')

Etile (acetato di)

LS-831

NSC70930

RL01740

76845O8NMZ

Acetato de etilo [Spanish]

C00849

CCRIS 6036

D02319

LTBB002232

RCRA waste number U112

WLN: 2OV1

ZINC895412

DTXSID1022001

OR000208

OR219292

OR253316

OR253317

STL282717

UN 1173

ZB015033

300085X

A807811

CHEBI:27750

DSSTox_CID_2001

Ethyl acetate, United States Pharmacopeia (USP) Reference Standard

UNII-76845O8NMZ

AN-23212

ANW-42221

CH3-CO-O-CH3

DSSTox_GSID_22001

Ethyl Acetate, pharmaceutical secondary standard; traceable to USP, PhEur

KB-51510

NSC 70930

NSC-70930

SC-22781

BDBM50128823

Caswell No. 429

DSSTox_RID_76453

MFCD00009171

ZINC00895412

AI3-00404

Ethyl acetate, >=99.5%

Ethyl acetate, tested according to Ph.Eur.

RTR-005372

TR-005372

AKOS000121947

EPA Pesticide Chemical Code 044003

Epitope ID:116868

Ethyl acetate, 99.9%

Ethyl acetate, AR, >=99%

Ethyl acetate, LR, >=99%

I14-2577

J-007556

J-521240

RCRA waste no. U112

FEMA No. 2414

FT-0621744

FT-0693343

Ethyl acetate, >82% in a non hazardous diluent

Ethyle (acetate d') [French]

Etile (acetato di) [Italian]

Ethyl acetate, anhydrous, 99.8%

ETHYL, 1-(ACETYLOXY)-

ETHYL, 2-(ACETYLOXY)-

Tox21_111166

Tox21_202512

141-78-6

F0001-0489

Ethyl acetate, >=99%, FCC, FG

Ethyl acetate, ACS reagent, >=99.5%

MCULE-6628539781

NCGC00091766-01

NCGC00260061-01

CAS-141-78-6

EINECS 205-500-4

Ethyl acetate, capillary GC grade, >=99.5%

Ethyl acetate, for HPLC, >=99.5%

Ethyl acetate, for HPLC, >=99.7%

Ethyl acetate, for HPLC, >=99.8%

Ethyl acetate, HPLC grade, 99.8%

Ethyl acetate, JIS special grade, >=99.5%

Ethyl acetate, PRA grade, >=99.5%

Ethyl acetate, SAJ first grade, >=99.0%

936-EP0930075A1

936-EP1441224A2

936-EP2269610A2

936-EP2269651A2

936-EP2269975A2

936-EP2269977A2

936-EP2269986A1

936-EP2269987A1

936-EP2269988A2

936-EP2269989A1

936-EP2269990A1

936-EP2269992A1

936-EP2269993A1

936-EP2269994A1

936-EP2269997A2

936-EP2270000A1

936-EP2270003A1

936-EP2270004A1

936-EP2270006A1

936-EP2270008A1

936-EP2270009A1

936-EP2270011A1

936-EP2270014A1

936-EP2270015A1

936-EP2270113A1

936-EP2270114A1

936-EP2272509A1

936-EP2272516A2

936-EP2272517A1

936-EP2272537A2

936-EP2272813A2

936-EP2272817A1

936-EP2272822A1

936-EP2272825A2

936-EP2272827A1

936-EP2272829A2

936-EP2272830A1

936-EP2272832A1

936-EP2272834A1

936-EP2272835A1

936-EP2272839A1

936-EP2272840A1

936-EP2272841A1

936-EP2272842A1

936-EP2272843A1

936-EP2272844A1

936-EP2272847A1

936-EP2272848A1

936-EP2272849A1

936-EP2272935A1

936-EP2272972A1

936-EP2272973A1

936-EP2274983A1

936-EP2275102A1

936-EP2275105A1

936-EP2275395A2

936-EP2275398A1

936-EP2275401A1

936-EP2275403A1

936-EP2275404A1

936-EP2275407A1

936-EP2275410A1

936-EP2275411A2

936-EP2275412A1

936-EP2275413A1

936-EP2275414A1

936-EP2275415A2

936-EP2275419A2

936-EP2275420A1

936-EP2275421A1

936-EP2275423A1

936-EP2275469A1

936-EP2277565A2

936-EP2277566A2

936-EP2277567A1

936-EP2277568A2

936-EP2277569A2

936-EP2277570A2

936-EP2277858A1

936-EP2277861A1

936-EP2277865A1

936-EP2277866A1

936-EP2277867A2

936-EP2277872A1

936-EP2277874A1

936-EP2277875A2

936-EP2277876A1

936-EP2277878A1

936-EP2277879A1

936-EP2277880A1

936-EP2277881A1

936-EP2277898A2

936-EP2279741A2

936-EP2279750A1

936-EP2279751A2

936-EP2280000A1

936-EP2280001A1

936-EP2280003A2

936-EP2280005A1

936-EP2280006A1

936-EP2280007A1

936-EP2280008A2

936-EP2280009A1

936-EP2280010A2

936-EP2280012A2

936-EP2280014A2

936-EP2281563A1

936-EP2281810A1

936-EP2281812A1

936-EP2281813A1

936-EP2281815A1

936-EP2281817A1

936-EP2281818A1

936-EP2281819A1

936-EP2281820A2

936-EP2281821A1

936-EP2281823A2

936-EP2281824A1

936-EP2281899A2

936-EP2283811A1

936-EP2283898A1

936-EP2284148A1

936-EP2284149A1

936-EP2284154A1

936-EP2284157A1

936-EP2284158A1

936-EP2284159A1

936-EP2284160A1

936-EP2284161A1

936-EP2284165A1

936-EP2284167A2

936-EP2284168A2

936-EP2284169A1

936-EP2284170A1

936-EP2284171A1

936-EP2284172A1

936-EP2284174A1

936-EP2284178A2

936-EP2284179A2

936-EP2286811A1

936-EP2286915A2

936-EP2287141A1

936-EP2287147A2

936-EP2287152A2

936-EP2287153A1

936-EP2287154A1

936-EP2287155A1

936-EP2287156A1

936-EP2287160A1

936-EP2287161A1

936-EP2287162A1

936-EP2287165A2

936-EP2287166A2

936-EP2287167A1

936-EP2287168A2

936-EP2287940A1

936-EP2289509A2

936-EP2289510A1

936-EP2289868A1

936-EP2289871A1

936-EP2289876A1

936-EP2289877A1

936-EP2289878A1

936-EP2289879A1

936-EP2289883A1

936-EP2289884A1

936-EP2289885A1

936-EP2289887A2

936-EP2289888A2

936-EP2289890A1

936-EP2289892A1

936-EP2289893A1

936-EP2289894A2

936-EP2289965A1

936-EP2292088A1

936-EP2292227A2

936-EP2292228A1

936-EP2292234A1

936-EP2292280A1

936-EP2292576A2

936-EP2292586A2

936-EP2292589A1

936-EP2292592A1

936-EP2292593A2

936-EP2292595A1

936-EP2292596A2

936-EP2292597A1

936-EP2292599A1

936-EP2292606A1

936-EP2292607A2

936-EP2292609A1

936-EP2292610A1

936-EP2292611A1

936-EP2292612A2

936-EP2292613A1

936-EP2292614A1

936-EP2292615A1

936-EP2292617A1

936-EP2292619A1

936-EP2292620A2

936-EP2292621A1

936-EP2292622A1

936-EP2292624A1

936-EP2292628A2

936-EP2292630A1

936-EP2295055A2

936-EP2295401A2

936-EP2295402A2

936-EP2295406A1

936-EP2295407A1

936-EP2295408A1

936-EP2295409A1

936-EP2295411A1

936-EP2295412A1

936-EP2295413A1

936-EP2295414A1

936-EP2295415A1

936-EP2295416A2

936-EP2295417A1

936-EP2295418A1

936-EP2295423A1

936-EP2295424A1

936-EP2295425A1

936-EP2295426A1

936-EP2295427A1

936-EP2295429A1

936-EP2295430A2

936-EP2295431A2

936-EP2295432A1

936-EP2295433A2

936-EP2295434A2

936-EP2295435A1

936-EP2295437A1

936-EP2295438A1

936-EP2295439A1

936-EP2295441A2

936-EP2295503A1

936-EP2298312A1

936-EP2298313A1

936-EP2298729A1

936-EP2298731A1

936-EP2298734A2

936-EP2298735A1

936-EP2298736A1

936-EP2298738A1

936-EP2298742A1

936-EP2298743A1

936-EP2298744A2

936-EP2298745A1

936-EP2298746A1

936-EP2298747A1

936-EP2298748A2

936-EP2298750A1

936-EP2298751A2

936-EP2298752A1

936-EP2298753A1

936-EP2298754A1

936-EP2298755A1

936-EP2298756A1

936-EP2298757A2

936-EP2298758A1

936-EP2298759A1

936-EP2298761A1

936-EP2298763A1

936-EP2298764A1

936-EP2298765A1

936-EP2298766A1

936-EP2298767A1

936-EP2298768A1

936-EP2298770A1

936-EP2298772A1

936-EP2298774A1

936-EP2298775A1

936-EP2298776A1

936-EP2298777A2

936-EP2298778A1

936-EP2298779A1

936-EP2298828A1

936-EP2299326A1

936-EP2299510A1

936-EP2301533A1

936-EP2301536A1

936-EP2301538A1

936-EP2301627A1

936-EP2301909A1

936-EP2301911A1

936-EP2301918A1

936-EP2301921A1

936-EP2301922A1

936-EP2301923A1

936-EP2301924A1

936-EP2301925A1

936-EP2301926A1

936-EP2301928A1

936-EP2301929A1

936-EP2301930A1

936-EP2301931A1

936-EP2301932A1

936-EP2301933A1

936-EP2301934A1

936-EP2301935A1

936-EP2301936A1

936-EP2301937A1

936-EP2301938A1

936-EP2301939A1

936-EP2301940A1

936-EP2301983A1

936-EP2302003A1

936-EP2302382A2

936-EP2302383A2

936-EP2305243A1

936-EP2305248A1

936-EP2305250A1

936-EP2305254A1

936-EP2305625A1

936-EP2305627A1

936-EP2305629A1

936-EP2305633A1

936-EP2305636A1

936-EP2305640A2

936-EP2305641A1

936-EP2305642A2

936-EP2305643A1

936-EP2305644A1

936-EP2305646A1

936-EP2305647A1

936-EP2305648A1

936-EP2305649A1

936-EP2305650A1

936-EP2305651A1

936-EP2305652A2

936-EP2305655A2

936-EP2305657A2

936-EP2305658A1

936-EP2305659A1

936-EP2305660A1

936-EP2305663A1

936-EP2305664A1

936-EP2305666A1

936-EP2305667A2

936-EP2305668A1

936-EP2305669A1

936-EP2305670A1

936-EP2305671A1

936-EP2305672A1

936-EP2305673A1

936-EP2305674A1

936-EP2305675A1

936-EP2305676A1

936-EP2305677A1

936-EP2305680A2

936-EP2305682A1

936-EP2305683A1

936-EP2305684A1

936-EP2305685A1

936-EP2305686A1

936-EP2305687A1

936-EP2305688A1

936-EP2305689A1

936-EP2305695A2

936-EP2305696A2

936-EP2305697A2

936-EP2305698A2

936-EP2305769A2

936-EP2305808A1

936-EP2305825A1

936-EP2308471A1

936-EP2308479A2

936-EP2308510A1

936-EP2308562A2

936-EP2308812A2

936-EP2308828A2

936-EP2308832A1

936-EP2308833A2

936-EP2308838A1

936-EP2308839A1

936-EP2308841A2

936-EP2308842A1

936-EP2308843A1

936-EP2308844A2

936-EP2308845A2

936-EP2308846A2

936-EP2308847A1

936-EP2308848A1

936-EP2308849A1

936-EP2308850A1

936-EP2308851A1

936-EP2308853A1

936-EP2308854A1

936-EP2308855A1

936-EP2308857A1

936-EP2308858A1

936-EP2308861A1

936-EP2308862A1

936-EP2308864A1

936-EP2308865A1

936-EP2308867A2

936-EP2308868A1

936-EP2308869A1

936-EP2308870A2

936-EP2308871A1

936-EP2308872A1

936-EP2308873A1

936-EP2308874A1

936-EP2308875A1

936-EP2308876A1

936-EP2308877A1

936-EP2308879A1

936-EP2308880A1

936-EP2308882A1

936-EP2308926A1

936-EP2308960A1

936-EP2309564A1

936-EP2309584A1

936-EP2311453A1

936-EP2311455A1

936-EP2311464A1

936-EP2311494A1

936-EP2311796A1

936-EP2311797A1

936-EP2311798A1

936-EP2311799A1

936-EP2311801A1

936-EP2311802A1

936-EP2311803A1

936-EP2311805A1

936-EP2311806A2

936-EP2311807A1

936-EP2311808A1

936-EP2311809A1

936-EP2311810A1

936-EP2311811A1

936-EP2311812A1

936-EP2311813A1

936-EP2311814A1

936-EP2311815A1

936-EP2311816A1

936-EP2311817A1

936-EP2311818A1

936-EP2311820A1

936-EP2311821A1

936-EP2311822A1

936-EP2311823A1

936-EP2311824A1

936-EP2311825A1

936-EP2311827A1

936-EP2311828A1

936-EP2311829A1

936-EP2311830A1

936-EP2311831A1

936-EP2311832A1

936-EP2311833A1

936-EP2311834A1

936-EP2311836A1

936-EP2311837A1

936-EP2311839A1

936-EP2311840A1

936-EP2311841A1

936-EP2311842A2

936-EP2311850A1

936-EP2314295A1

936-EP2314558A1

936-EP2314571A2

936-EP2314574A1

936-EP2314575A1

936-EP2314576A1

936-EP2314577A1

936-EP2314579A1

936-EP2314581A1

936-EP2314582A1

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936-EP2314584A1

936-EP2314585A1

936-EP2314586A1

936-EP2314587A1

936-EP2314588A1

936-EP2314589A1

936-EP2314590A1

936-EP2314593A1

936-EP2315303A1

936-EP2315502A1

936-EP2316452A1

936-EP2316457A1

936-EP2316458A1

936-EP2316470A2

936-EP2316824A1

936-EP2316825A1

936-EP2316826A1

936-EP2316827A1

936-EP2316828A1

936-EP2316829A1

936-EP2316831A1

936-EP2316832A1

936-EP2316833A1

936-EP2316834A1

936-EP2316835A1

936-EP2316836A1

936-EP2316837A1

936-EP2316905A1

936-EP2316906A2

936-EP2316937A1

936-EP2316974A1

936-EP2371808A1

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936-EP2380568A1

936-EP2380661A2

936-EP2380867A1

936-EP2380873A1

936-EP2380874A2

949-EP2269996A1

949-EP2270003A1

949-EP2270008A1

949-EP2270009A1

949-EP2272830A1

949-EP2275413A1

949-EP2275421A1

949-EP2281820A2

949-EP2281822A1

949-EP2284174A1

949-EP2287156A1

949-EP2287157A1

949-EP2287159A1

949-EP2292617A1

949-EP2295428A2

949-EP2295433A2

949-EP2295441A2

949-EP2298735A1

949-EP2298754A1

949-EP2298762A2

949-EP2298774A1

949-EP2298783A1

949-EP2301921A1

949-EP2301926A1

949-EP2301932A1

949-EP2301940A1

949-EP2305646A1

949-EP2305695A2

949-EP2305696A2

949-EP2305697A2

949-EP2305698A2

949-EP2308845A2

949-EP2308846A2

949-EP2308851A1

949-EP2308861A1

949-EP2308867A2

949-EP2308870A2

949-EP2308876A1

949-EP2311494A1

949-EP2311840A1

949-EP2311841A1

949-EP2314576A1

949-EP2316824A1

949-EP2316832A1

949-EP2316833A1

949-EP2380871A1

Ethyl acetate, biotech. grade, >=99.8%

Ethyl acetate, ReagentPlus(R), >=99.5%

Ethyl acetate, ReagentPlus(R), >=99.8%

Ethyl acetate [UN1173] [Flammable liquid]

6822-EP1441224A2

Ethyl acetate, natural, >=99%, FCC, FG

MolPort-000-871-940

37556-EP2305808A1

37556-EP2311802A1

37556-EP2311803A1

Ethyl acetate, for residue analysis, suitable for 5000 per JIS

Ethyl acetate, Laboratory Reagent, >=99.0% (GC)

Ethyl acetate [UN1173] [Flammable liquid]

Ethyl acetate, >10 - 82% in a non hazardous diluent

Ethyl acetate, for HPLC, >=99.8% (GC)

Ethyl acetate, ACS, 99.5% min. 500ml

Ethyl acetate, HPLC, UV-IR min. 99.9 %, isocratic grade

Ethyl acetate, suitable for 300 per JIS, >=99.5%, for residue analysis

Ethyl acetate, suitable for 1000 per JIS, >=99.5%, for residue analysis

Ethyl acetate, HPLC Plus, for HPLC, GC, and residue analysis, 99.9%

Ethyl acetate, puriss. p.a., ACS reagent, >=99.5% (GC)

Ethyl acetate, puriss. p.a., free of higher boiling impurities, >=99.9% (GC)

ACETIC-2,2,2-D3 ACID,ETHYL-1,1,2,2,2-D5 ESTER

InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H

Ethyl acetate, puriss., meets analytical specification of Ph. Eur., BP, NF, >=99.5% (GC)

Ethyl acetate, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)

IUPAC name

ethyl acetate

SMILES

CCOC(=O)C

Inchi

InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3

Formula

CH₃COOC₂H₅

PubChem ID

8857

Molweight

88.106

LogP

0.28

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Esters

mVOC Specific Details

Volatilization

The Henry's Law constant for ethyl acetate is 1.34X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that ethyl acetate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 9 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 6 days(SRC). Ethyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Ethyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 93.2 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jun 25, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, (1991)

Soil Adsorption

The Koc of ethyl acetate is estimated as 18(SRC), using a log Kow of 0.73(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ethyl acetate is expected to have very high mobility in soil(SRC). A log Ki (snow surface/air (cu m/sq m)) of -3.69 has been reported for sorption to snow(4).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR (consult ed) Washington,DC: Amer Chem Soc p. 9 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jun 25, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 23 (1983) (4) Roth CM et al; Environ Sci Technol 38: 4078-4084 (2004)

Vapor Pressure

Pressure	Reference
93.2 mm Hg at 25 deg C	Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, (1991)

MS-Links

1D-NMR-Links

1D NMR Spectrum 2243 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 2938 - NEVA 15.09 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Escherichia Coli	n/a		Hettinga et al., 2008
Bacteria	Leuconostoc Citreum CIRM1455	na	goat cheese whey	PogaÄiÄ‡ et al., 2016
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Staphylococcus Aureus	n/a		Hettinga et al., 2008
Bacteria	Streptococcus Dysgalactiae	n/a		Hettinga et al., 2008
Bacteria	Streptococcus Uberis	n/a		Hettinga et al., 2008
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Fungi	Ceratocystis Fagacearum			Lin and Phelan 1994
Fungi	Ceratocystis Sp.	Enhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Dipodascus Aggregatus	Enhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2011
Fungi	Muscodor Crispans	n/a		Mitchell et al., 2010
Fungi	Neurospora Sitophila ATCC 46892	n/a		Pastore et al.,1994
Fungi	Neurospora Sp.	n/a		Pastore et al., 1994
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Digitatum			SchnÃ¼rer et al. 1999
Fungi	Pichia Anomala			SchnÃ¼rer et al. 1999
Fungi	Saccharomyces Cerevisiae	Enhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Saccharomyces Cerevisiae CR1	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Thielaviopsis Basicola	Enhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Borchii		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al., 2007b

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Trichodema Pseudokoningii	Low medium	GC/MS
Fungi	Trichodema Viride	Low medium	GC/MS
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Escherichia Coli	Milk	HS-SPME/GC-MS
Bacteria	Leuconostoc Citreum CIRM1455	curd-based broth medium	GC/MS	Yes
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Staphylococcus Aureus	Milk	HS-SPME/GC-MS
Bacteria	Streptococcus Dysgalactiae	Milk	HS-SPME/GC-MS
Bacteria	Streptococcus Uberis	Milk	HS-SPME/GC-MS
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Fungi	Ceratocystis Fagacearum			no
Fungi	Ceratocystis Sp.	n/a	n/a
Fungi	Dipodascus Aggregatus	n/a	n/a
Fungi	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Fungi	Muscodor Crispans	potato dextrose agar	SPME-GC-MS
Fungi	Neurospora Sitophila ATCC 46892	Malt extract	Headspace/gas chromatography
Fungi	Neurospora Sp.	potato dextrose agar	dynamic headspace/gas chromatography
Fungi	Penicillium Commune Pitt	MEA	GC/MS
Fungi	Penicillium Digitatum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Pichia Anomala	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Saccharomyces Cerevisiae	n/a	n/a
Fungi	Saccharomyces Cerevisiae CR1	YEPDA	GC/MS	no
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Thielaviopsis Basicola	n/a	n/a
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Borchii			Yes

3-methylbutanoic Acid

Mass-Spectra

Compound Details

Synonymous names

Isovaleriansaeure

Isovalericacid

Isovalerianic

Isobutylformic acid

Isopropylacetic acid

isovalerate

Kyselina isovalerova

METHYLBUTANOIC ACID

GWYFCOCPABKNJV-UHFFFAOYSA-N

Isopentanoic acid

Isovalerianic acid

3-Methylbuttersaeure

b-Methylbutyrate

ISOVALERIC ACID

beta-Methylbutyric acid

Delphinic acid

NATURAL ISOVALERIC ACID

3-Methylbutyrate

b-Methylbutyric acid

Isobutyl formic acid

IVA

methyl butanoic acid

3-Methylbutyric

Isovaleric acid, analytical standard

3-Methylbutanoic acid

3-Methylbutyric acid|

iso-valeric acid

3-Methylbutyric acid

ACMC-1BMPI

Isopropyl Acetic Acid, natural

AC1L1V6N

iso-C4H9COOH

Kyselina isovalerova [Czech]

Methylbutanoic acid (Related)

3-methyl-butanoic acid

3,4-Diisovaleryl adrenaline

.beta.-Methylbutyric acid

3-methyl butyric acid

3-methyl-butyric acid

3-Methylbutyric acid: isopropyl-Acetate

AC1Q1P73

Isovaleric acid (natural)

KSC489M7P

S153

Acetic acid, isopropyl-

SCHEMBL43436

3-Methylbutyric acid: isopropyl-Acetic acid

CTK3I9677

HMDB00718

HSDB 629

3-methyl-n-butyric acid

CHEMBL568737

DB03750

Isovaleric acid, 99%

NSC62783

RP18769

STR08356

1BR7X184L5

bmse000373

C08262

ZINC388188

AK116943

BBL027399

BC677309

DTXSID5029182

LS-2386

OR025022

OR111348

OR376668

OR376669

STL146358

WLN: QV1Y1&1

CHEBI:28484

DSSTox_CID_9182

UNII-1BR7X184L5

AJ-20479

AN-21437

ANW-30978

Butanoic acid, 3-methyl-

DSSTox_GSID_29182

Isovaleric acid sodium salt (Salt/Mix)

KB-52997

NSC 62783

NSC-62783

SC-27287

TRA0072843

BB_NC-2309

Butyric acid, 3-methyl-

DSSTox_RID_78698

LMFA01020181

MFCD00002726

AI3-24132

FEMA Number: 3102

RTR-018005

ST24028594

TR-018005

AKOS000119861

J-522594

BRN 1098522

FEMA No. 3102

FT-0627533

I14-10601

Z955123492

Isovaleric acid, natural, >=98%, FG

Tox21_201604

503-74-2

F2191-0067

NA 1760 (Related)

Isovaleric acid, >=99%, FCC, FG

MCULE-5805071360

NCGC00249082-01

NCGC00259153-01

CAS-503-74-2

EINECS 207-975-3

35915-22-1

7050-EP2286915A2

7050-EP2287153A1

7050-EP2289892A1

7050-EP2292590A2

7050-EP2295417A1

7050-EP2301934A1

7050-EP2305656A1

7050-EP2305675A1

7050-EP2308509A1

7050-EP2308828A2

7050-EP2308848A1

7050-EP2308872A1

7050-EP2314585A1

7050-EP2316829A1

7050-EP2374791A1

MolPort-000-871-620

31567-EP2275401A1

31567-EP2277861A1

31567-EP2298763A1

31567-EP2308858A1

31567-EP2311816A1

31567-EP2311817A1

31567-EP2374790A1

66994-EP2298772A1

66994-EP2308839A1

Butanoic acid, 3-methyl-, (R)-

4-02-00-00895 (Beilstein Handbook Reference)

InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7

IUPAC name

3-methylbutanoic acid

SMILES

CC(C)CC(=O)O

Inchi

InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

Formula

C₅H₁₀O₂

PubChem ID

10430

Molweight

102.133

LogP

1.21

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids esters

mVOC Specific Details

Boiling Point

Degree	Reference
176.5 °C	PhysProp
176.5 DEG C @ 760 MM HG	Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-98

Volatilization

The Henry's Law constant for isovaleric acid was measured as 8.33X10-7 atm-cu m/mole(1). This value indicates that isovaleric acid will volatilize slowly from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 45 days(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 330 days(2,SRC). In addition, a pKa of 4.78 for isovaleric acid(3) indicates that isovaleric acid will not significantly volatilize from water as it will exist predominately in the ionic form under environmental pHs(SRC). Isovaleric acid's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isovaleric acid is not expected to volatilize from dry soil surfaces(SRC) based on a measured vapor pressure of 0.44 mm Hg(4).
Literature: (1) Khan I, Brimblecombe P; J Aerosol Sci 23: S897-S900 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Leung HW, Paustenbach DJ; Am J Ind Med 18: 714-23 (1990) (4) Yaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston,TX: Gulf Publ Co. p. 387 (1994)

Soil Adsorption

The Koc of isovaleric acid is estimated as approximately 100(SRC), using a measured log Kow of 1.16(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that isovaleric acid is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR (consult ed) Washington, DC: Amer Chem Soc p. 14 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)

Vapor Pressure

Pressure	Reference
0.44 mm Hg at 25 deg C	Yaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston, TX: Gulf Publishing Co. p. 387 (1994)

MS-Links

MS-MS Spectrum 19655

MS-MS Spectrum 1005 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 19657

MS-MS Spectrum 12985

MS-MS Spectrum 4517 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 19656

MS-MS Spectrum 12984

MS-MS Spectrum 4518 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 4519 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 4520 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 4516 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 12983

MS-MS Spectrum 1006 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 1007 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 1260 - Bruker 400 MHz 13C NMR

1D NMR Spectrum 1497 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Klebsiella Pneumoniae	n/a		Julak et al., 2003
Bacteria	Staphylococcus Aureus	n/a		Julak et al., 2003
Bacteria	Staphylococcus Aureus		milk of cows	Hettinga et al 2010
Bacteria	Escherichia Coli O157:H7		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Staphylococcus Aureus ATCC 6538		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Bacteria	Burkholderia Andropogonis LMG 2129	n/a		Blom et al., 2011
Bacteria	Burkholderia Anthina LMG 20980	n/a		Blom et al., 2011
Bacteria	Burkholderia Caledonica LMG 19076	n/a		Blom et al., 2011
Bacteria	Burkholderia Caribensis LMG 18531	n/a		Blom et al., 2011
Bacteria	Burkholderia Caryophylli LMG 2155	n/a		Blom et al., 2011
Bacteria	Burkholderia Fungorum LMG 16225	n/a		Blom et al., 2011
Bacteria	Burkholderia Gladioli LMG 2216	n/a		Blom et al., 2011
Bacteria	Burkholderia Glathei LMG 14190	n/a		Blom et al., 2011
Bacteria	Burkholderia Glumae LMG 2196	n/a		Blom et al., 2011
Bacteria	Burkholderia Graminis LMG 18924	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 22485	n/a		Blom et al., 2011
Bacteria	Burkholderia Pyrrocinia LMG 21822	n/a		Blom et al., 2011
Bacteria	Burkholderia Xenovorans LMG 21463	n/a		Blom et al., 2011
Bacteria	Cellulomonas Uda	n/a		Blom et al., 2011
Bacteria	Escherichia Coli	n/a		Tait et al., 2014
Bacteria	Escherichia Coli OP50	n/a		Blom et al., 2011
Bacteria	Klebsiella Pneumoniae	n/a		Tait et al., 2014
Bacteria	Lactobacillus Paracasei LSL 248	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Pseudomonas Chlororaphis	n/a		Blom et al., 2011
Bacteria	Salinispora Tropica CNB-440	na	marine sediment	Groenhagen et al., 2016
Bacteria	Serratia Plymuthica IC14	n/a		Blom et al., 2011
Bacteria	Staphylococcus Aureus	n/a		Tait et al., 2014
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Bacteria	Staphylococcus Sciuri	attract Episyrphus balteatus	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Bacteria	Staphylococcus Xylosus	n/a		Schulz and Dickschat, 2007
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees et al 2016
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a		Dickschat et al., 2005_5
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Corynebacterium Striatum RV2		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Striatum V6894		clinical isolate	Lemfack et al. 2016
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Staphylococcus Epidermidis ATCC 12228			Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis ATCC 14990		clinical isolate,nose	Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis DSM 3269		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis RP62A		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Haemolyticus CCM 2729		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Staphylococcus Intermedius 9S		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Saccharolyticus B5709		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi DSMZ 4807		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi H34		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi V431		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri ATCC 29061		Southernflying squirrel skin	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri H4286		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri OR		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri V405		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri Y		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Warneri CCM 2730		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Streptomyces			Jones et al. eLife 2017;6:e21738.
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Bacteria	Bacteroides Fragilis	Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.		Hinton and Hume, 1995
Bacteria	Veillonella Spp.	Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.		Hinton and Hume, 1995
Bacteria	Actinomyces Europaeus		clinical exudates	Julak et al. 2003
Bacteria	Actinomyces Naeslundii		clinical exudates	Julak et al. 2003
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Bacteroides Capillosus		clinical exudates	Julak et al. 2003
Bacteria	Bacteroides Distasonis	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Fragilis		clinical exudates	Julak et al. 2003
Bacteria	Bacteroides Ovatus	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Pyogenes		clinical exudates	Julak et al. 2003
Bacteria	Bacteroides Thetaiotamicron	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Vulgatus	n/a		Wiggins et al., 1985
Bacteria	Capnocytophaga Ochracea ATCC 33596	n/a		Kurita-Ochiai et al., 1995
Bacteria	Clostridium Bifermentans	n/a		Wiggins et al., 1985
Bacteria	Clostridium Difficile		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Perfringens		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Ramosum		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Septicum		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Clostridium Sporogenes	n/a		Wiggins et al., 1985
Bacteria	Eubacterium Lentum		clinical exudates	Julak et al. 2003
Bacteria	Fusobacterium Nucleatum	Inhibition of proliferation and cytokine production in Lymphocyte cells.		Kurita-Ochiai et al., 1995
Bacteria	Fusobacterium Simiae		clinical exudates	Julak et al. 2003
Bacteria	Lactobacillus Acidophilus		clinical exudates	Julak et al. 2003
Bacteria	Peptococcus Niger		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Anaerobicus		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Asaccharolyticus		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Prevotii		clinical exudates	Julak et al. 2003
Bacteria	Porphyromonas Gingivalis	Inhibition of proliferation and cytokine production in Lymphocyte cells.		Kurita-Ochiai et al., 1995
Bacteria	Porphyromonas Gingivalis FDC381	n/a		Kurita-Ochiai et al., 1995
Bacteria	Porphyromonas Gingivalis W83	n/a		Kurita-Ochiai et al., 1995
Bacteria	Prevotella Intermedia ATCC 25261	n/a		Kurita-Ochiai et al., 1995
Bacteria	Prevotella Loescheii	Inhibition of proliferation and cytokine production in Lymphocyte cells.		Kurita-Ochiai et al., 1995
Bacteria	Prevotella Loescheii ATCC 15930	n/a		Kurita-Ochiai et al., 1995
Bacteria	Propionibacterium Acnes		clinical exudates	Julak et al. 2003
Bacteria	Propionibacterium Propionicum		clinical exudates	Julak et al. 2003
Bacteria	Staphylococcus Epidermidis		clinical exudates	Julak et al. 2003
Fungi	Agaricus Bisporus	Stimulation of spore germination of Agaricus bisporus.		Stotzky and Schenk, 1976
Fungi	Aspergillus Ustus	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Muscodor Albus			Ezra et al. 2005
Fungi	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Penicillium Spp			Ezra et al. 2005
Fungi	Polysporus Sulfureus			Ezra et al. 2005

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Klebsiella Pneumoniae	VF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)	HS-SPME/GC-MS
Bacteria	Staphylococcus Aureus	VF (peptone, NaCl)	HS-SPME/GC-MS
Bacteria	Staphylococcus Aureus		GCMS DSQ	no
Bacteria	Escherichia Coli O157:H7	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Staphylococcus Aureus ATCC 6538	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Bacteria	Burkholderia Andropogonis LMG 2129	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Anthina LMG 20980	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caledonica LMG 19076	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caribensis LMG 18531	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caryophylli LMG 2155	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Fungorum LMG 16225	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Gladioli LMG 2216	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glathei LMG 14190	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glumae LMG 2196	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Graminis LMG 18924	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 22485	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Pyrrocinia LMG 21822	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Xenovorans LMG 21463	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Cellulomonas Uda	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Escherichia Coli	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column
Bacteria	Escherichia Coli OP50	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Klebsiella Pneumoniae	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column
Bacteria	Lactobacillus Paracasei LSL 248	curd-based broth medium	GC/MS	Yes
Bacteria	Pseudomonas Chlororaphis	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Salinispora Tropica CNB-440	seawater-based A1	GC/MS
Bacteria	Serratia Plymuthica IC14	MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Staphylococcus Aureus	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Staphylococcus Sciuri	873 liquid medium	SPME-GC/MS
Bacteria	Staphylococcus Xylosus	n/a	n/a
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a	n/a
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Corynebacterium Striatum RV2	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Striatum V6894	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Staphylococcus Epidermidis ATCC 12228	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis ATCC 14990	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis DSM 3269	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis RP62A	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Haemolyticus CCM 2729	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Intermedius 9S	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Saccharolyticus B5709	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi DSMZ 4807	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi H34	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi V431	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri ATCC 29061	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri H4286	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri OR	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri V405	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri Y	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Warneri CCM 2730	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Streptomyces	YPD agar	GCxGC-TOFMS	no
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Bacteria	Bacteroides Fragilis	n/a	n/a
Bacteria	Veillonella Spp.	n/a	n/a
Bacteria	Actinomyces Europaeus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Actinomyces Naeslundii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Bacteroides Capillosus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Bacteroides Distasonis	n/a	n/a
Bacteria	Bacteroides Fragilis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Bacteroides Ovatus	n/a	n/a
Bacteria	Bacteroides Pyogenes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Bacteroides Thetaiotamicron	n/a	n/a
Bacteria	Bacteroides Vulgatus	n/a	n/a
Bacteria	Capnocytophaga Ochracea ATCC 33596	n/a	n/a
Bacteria	Clostridium Bifermentans	n/a	n/a
Bacteria	Clostridium Difficile	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Perfringens	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Ramosum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Septicum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Clostridium Sporogenes	n/a	n/a
Bacteria	Eubacterium Lentum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Fusobacterium Nucleatum	n/a	n/a
Bacteria	Fusobacterium Simiae	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Lactobacillus Acidophilus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptococcus Niger	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptostreptococcus Anaerobicus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptostreptococcus Asaccharolyticus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptostreptococcus Prevotii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Porphyromonas Gingivalis	n/a	n/a
Bacteria	Porphyromonas Gingivalis FDC381	n/a	n/a
Bacteria	Porphyromonas Gingivalis W83	n/a	n/a
Bacteria	Prevotella Intermedia ATCC 25261	n/a	n/a
Bacteria	Prevotella Loescheii	n/a	n/a
Bacteria	Prevotella Loescheii ATCC 15930	n/a	n/a
Bacteria	Propionibacterium Acnes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Propionibacterium Propionicum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Staphylococcus Epidermidis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Fungi	Agaricus Bisporus	n/a	n/a
Fungi	Aspergillus Ustus	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Muscodor Albus			no
Fungi	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Penicillium Spp			no
Fungi	Polysporus Sulfureus			no

3-methylbutanal

Mass-Spectra

Compound Details

Synonymous names

Isovalerylaldehyde

ISOVALERALDEHYDE

Aldehyde isovalerianique

beta-Methylbutyraldehyde

Isoamylaldehyde

Isopentaldehyde

ISOVALERALDEHYDE,TECH

Isopentanal

Isovaleral

Isovaleraldehyde, analytical standard

Isovaleric aldehyde

beta-Methylbutanal

Iso-Valeraldehyde

YGHRJJRRZDOVPD-UHFFFAOYSA-N

3-Methylbutylaldehyde

3-Methylbutyraldehyde

b-Methylbutanal

Isoamyl aldehyde

Methyl butanal

3-Methylbutanal

3-Methyl butyraldehyde

3-methyl-Butyraldehyde

AC1L1XLJ

ACMC-1ATPF

Aldehyde isovalerianique [French]

.beta.-Methylbutanal

3-methyl butanal

3-Methyl-Butanal

AC1Q1P7B

iso-C4H9CHO

Isovaleraldehyde, 97%

3-Methylbutyraldehyde (natural)

2-Methylbutanal-4

Butanal, methyl-

KSC270C4R

CHEMBL18360

CTK1H0148

HMDB06478

HSDB 628

I0192

Z4917

Butyraldehyde, 3-methyl-

RP18454

3-Methyl-1-butanal

3-Methylbutan-1-al

C07329

CCRIS 2945

Isovaleraldehyde, >=97%, FG

ZINC896832

AK130482

BBL027631

DTXSID1021619

LS-2913

MP-2148

NSC404119

OR000198

OR111347

OR290748

STL146355

WLN: VH1Y1&1

Butanal, 3-methyl-

CHEBI:16638

DSSTox_CID_1619

69931RWI96

AN-21530

ANW-33143

CJ-04498

DSSTox_GSID_21619

EBD2211673

KB-77969

SC-27291

TRA0100272

BB_NC-2289

BDBM50028832

DSSTox_RID_76239

Isovaleraldehyde, natural, >=95%, FG

MFCD00007014

ZINC00896832

AI3-16106

NSC 404119

NSC-404119

RTR-030709

TR-030709

UNII-69931RWI96

AKOS000118930

I14-2596

J-512894

BRN 0773692

FEMA No. 2692

FT-0627530

1-Butanal, 3-methyl-

Tox21_200891

590-86-3

F2190-0631

NCGC00248867-01

NCGC00258445-01

CAS-590-86-3

EINECS 209-691-5

6398-EP2374783A1

6398-EP2377841A1

6398-EP2380871A1

MolPort-001-787-528

ISOVALERALDEHYDE, B.P.91-93<144>

4-01-00-03291 (Beilstein Handbook Reference)

InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H

IUPAC name

3-methylbutanal

SMILES

CC(C)CC=O

Inchi

InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3

Formula

(CH₃)₂CHCH₂CHO

PubChem ID

11552

Molweight

86.134

LogP

1.05

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes

mVOC Specific Details

Volatilization

The Henry's Law constant for 3-methylbutanal is estimated as 4.0X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 50 mm Hg(1), and water solubility, 1.4X10+4 mg/L(2). This Henry's Law constant indicates that 3-methylbutanal is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4 days(SRC). 3-Methylbutanal's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-methylbutanal from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Clayton GD, Clayton FE; Patty's Industrial Hygiene and Toxicology Volume III 2nd ed 3A: The Work Environment NY,NY: John Wiley Sons p. 2638 (1985) (2) Falbe J, Lappe P; in Ullmann's Encycl Indust Chem 5th ed. Gerhartz W, ed Deerfield Beach, FL: VCH Publishers A1: 321-52 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of 3-methylbutanal is estimated as 23(SRC), using a water solubility of 1.4X10+4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-methylbutanal is expected to have very high mobility in soil.
Literature: (1) Falbe J, Lappe P; in Ullmann's Encycl Indust Chem 5th ed. Gerhartz W, ed Deerfield Beach, FL: VCH Publishers A1: 321-52 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
50 mm Hg at approx 25 deg C	Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 2638

MS-Links

MS-MS Spectrum 21509

MS-MS Spectrum 18182

MS-MS Spectrum 2485 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2486 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2484 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 6113 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 6112 - EI-B (HITACHI RMU-6M) Positive

1D-NMR-Links

1D NMR Spectrum 2040 - Bruker 600 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Bacteria	Coagulase Negative Staphylococci		milk of cows	Hettinga et al 2010
Bacteria	Escherichia Coli		milk of cows	Hettinga et al 2010
Bacteria	L Isteria Monocytogenes	n/a		Arnold and Senter, 1998
Bacteria	Staphylococcus Aureus		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Dysgalactiae		milk of cows	Hettinga et al 2010
Fungi	Tuber Aestivum		Burgundy region	Molinier et al., 2015
Bacteria	Staphylococcus Aureus ATCC 6538		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Lactobacillus Helveticus CIRM449	na	yoghurt	PogaÄiÄ‡ et al., 2016
Bacteria	Staphylococcus Aureus	n/a		Jia et al., 2010
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Bacteria	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Bacteria	Staphylococcus Sp.	n/a		Schulz and Dickschat, 2007
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV 357	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Indicum	n/a		Splivallo et al., 2007
Fungi	Tuber Magnatum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a		Splivallo et al., 2007
Fungi	Tuber Mesentericum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Oligospermum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Panniferum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al., 2012
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum			March et al., 2006
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011
Fungi	Aspergillus Sp.			Jelen and Grabarkiewicz-Szczesna 2006
Fungi	Fusarium Sp.			Jelen and Grabarkiewicz-Szczesna 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Bacteria	Coagulase Negative Staphylococci		GCMS DSQ	no
Bacteria	Escherichia Coli		GCMS DSQ	no
Bacteria	L Isteria Monocytogenes		HS-SPME/GC-MS
Bacteria	Staphylococcus Aureus		GCMS DSQ	no
Bacteria	Streptococcus Dysgalactiae		GCMS DSQ	no
Fungi	Tuber Aestivum		HS-SPME/GC-MS	Yes
Bacteria	Staphylococcus Aureus ATCC 6538	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Bacteria	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Lactobacillus Helveticus CIRM449	curd-based broth medium	GC/MS	Yes
Bacteria	Staphylococcus Aureus	Mueller Hinton broth	HS-SPME/GC-MS
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Staphylococcus Sciuri	865 liquid medium	SPME-GC/MS
Bacteria	Staphylococcus Sp.	n/a	n/a
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV 357	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Indicum	n/a	n/a
Fungi	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	n/a
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Oligospermum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Uncinatum	n/a	SPME-GC-MS
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum		Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/GC-MS
Fungi	Aspergillus Sp.			no
Fungi	Fusarium Sp.			no

(methyldisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names

Methyldisulfanylmethane

Methyldithiomethane

dimethyldisulphide

Dimethyldisulfide

methyldisulfanyl methane

Methyldisulfide

Dimethyl disulphide

WQOXQRCZOLPYPM-UHFFFAOYSA-N

Dimethyl disulfide

methyl disulphide

Disulfide dimethyl

METHYL DISULFIDE

(Methyldisulfanyl)methane

DMDS

Sulfa-hitech

Dimethyl disulfide, analytical standard

(Methyldithio)methane

(Methyldisulfanyl)methane #

Disulfide, dimethyl

AC1Q4HER

AC1Q4HEQ

1,2-Dimethyldisulfane

PubChem9665

Dimethyl disulfide, >=99%

AC1L1Z53

2,3-Dithiabutane

Dimethyl disulfide, 99%

NSC9370

UN2381

Dimethyl disulfide, 98%

HMDB05879

D0714

CTK2F3131

RP18575

CHEBI:4608

CCRIS 2939

C08371

BDBM233038

Methyl disulfide (8CI)

WLN: 1SS1

3P8D642K5E

HSDB 6400

LS-1499

DTXSID4025117

NSC 9370

NSC-9370

OR000230

OR291634

CHEMBL1347061

Sulfa-hitech 0382

UN 2381

(1/4)x>>u paragraph signthornAoAN

(CH3S)2

UNII-3P8D642K5E

ZINC8221057

A833808

Dimethyl disulfide, >=99.0%

DSSTox_CID_5117

KB-76616

AN-22028

TL8004165

Dimethyl disulfide, >=98%, FG

DSSTox_GSID_25117

DSSTox_RID_77673

MFCD00008561

AI3-25305

TR-021489

RTR-021489

I09-0129

Q-100719

AKOS009157459

FEMA No. 3536

FT-0625135

METHYL, [(THIOMETHYL)THIO]-

Dimethyl disulfide, natural, >=98%, FG

EN300-36043

Tox21_201525

F0001-1676

624-92-0

NCGC00259075-01

NCGC00091798-02

NCGC00091798-01

MCULE-7451882535

EINECS 272-923-9

CAS-624-92-0

Dimethyl disulfide [UN2381] [Flammable liquid]

EINECS 210-871-0

Dimethyl disulfide [UN2381] [Flammable liquid]

MolPort-003-929-787

Dimethyl disulfide, purum, >=98.0% (GC)

224638-EP2371831A1

InChI=1/C2H6S2/c1-3-4-2/h1-2H

IUPAC name

(methyldisulfanyl)methane

SMILES

CSSC

Inchi

InChI=1S/C2H6S2/c1-3-4-2/h1-2H3

Formula

C₂H₆S₂

PubChem ID

12232

Molweight

94.19

LogP

1.35

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Sulfides Sulfide thioethers sulfur compounds

mVOC Specific Details

Volatilization

The Henry's Law constant for dimethyl disulfide is reported as 1.21X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl disulfide is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.1 days(SRC). Dimethyl disulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). In a laboratory study, the volatilization rate of dimethyl disulfide from a tidal marsh soil (at field capacity or 1.5 field capacity) ranged from 0.1 to 0.4 ng (sulfur basis)/min(3). Dimethyl disulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.7 mm Hg(4).
Literature: (1) Vitenberg AG et al; J Chromatography 112: 319-27 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Farwell SO et al; Soil Biol Biochem 11: 411-5 (1979) (4) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation. New York, NY: Hemisphere Pub Corp (1989)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethyl disulfide can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethyl disulfide is expected to have very high mobility in soil. Gas chromatographic studies with various air-dry and moist soils have shown that soil can sorb atmospheric, gas phase dimethyl disulfide(3). In one closed-system test, 17-94% of input dimethyl disulfide was sorbed by the soil in 10 min(3); in a 15-day test, dimethyl disulfide sorption was 101-306 ug sorbed/g soil(3). Soil microbes were found to be important for the gas phase sorption of dimethyl disulfide as 15-day sorption in sterilized soil was only 9-98 ug sorbed/g soil(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 7, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976)

Vapor Pressure

Pressure	Reference
28.7 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 65042

MS-MS Spectrum 65041

MS-MS Spectrum 122360

MS-MS Spectrum 65040

MS-MS Spectrum 122359

MS-MS Spectrum 122358

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Streptomyces Alboflavus TD-1	n/a		Wang et al., 2013
Bacteria	Achromobacter Xylosoxidans AF411019	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Actinomycetes Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Aeromonas Veronii	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Alcaligenes Faecalis	n/a		Zou et al., 2007
Bacteria	Alcaligenes Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Arthrobacter Nicotianae JQ071518	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Arthrobacter Nitroguajacolius	n/a		Zou et al., 2007
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Cereus ATCC 14570		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Bacillus Polymyxa ATCC 842		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Burkholderia Caribensis LMG 18531	n/a		Blom et al., 2011
Bacteria	Burkholderia Glumae LMG 2196	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 6993	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenazinium LMG 2247	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenoliruptrix LMG 22037	n/a		Blom et al., 2011
Bacteria	Burkholderia Pyrrocinia LMG 21822	n/a		Blom et al., 2011
Bacteria	Burkholderia Sacchari LMG 19450	n/a		Blom et al., 2011
Bacteria	Burkholderia Sp. AD24	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Burkholderia Terricola LMG 20594	n/a		Blom et al., 2011
Bacteria	Burkholderia Tropica MTo431	n/a		Tenorio-Salgado et al., 2013
Bacteria	Burkholderia Xenovorans LMG 21463	n/a		Blom et al., 2011
Bacteria	Chromobacterium Violaceum CV0	n/a		Blom et al., 2011
Bacteria	Chryseobacterium Sp. AD48	na	na	Tyc et al., 2015
Bacteria	Citrobacter Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Collimonas Fungivorans Ter331	n/a		Garbeva et al., 2013
Bacteria	Collimonas Pratensis Ter91	n/a		Garbeva et al., 2013
Bacteria	Cupriavidus Necator LMG 1199	n/a		Blom et al., 2011
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141	n/a		Dickschat et al., 2005_3
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146	n/a		Dickschat et al., 2005_3
Bacteria	Dyella Sp. AD56	na	na	Tyc et al., 2015
Bacteria	Enterobacter Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Enterococcus Durans ATCC 19432		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Enterococcus Faecium ATCC 19434		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Escherichia Coli	n/a		Siripatrawan et al., 2008
Bacteria	Escherichia Coli ATCC15547		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Janthinobacterium Sp. AD80	na	na	Tyc et al., 2015
Bacteria	Klebsiella Oxytoca	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Klebsiella Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Brevis	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Hilgardii	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Lactis ATCC 11955		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Lactobacillus Plantarum	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactococcus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Leuconostoc Mesenteroides ATCC 8086		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Leuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250	can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy products		PogaÄiÄ‡ et al., 2015
Bacteria	Limnobacter Thiooxidans LMG 19593	n/a		Blom et al., 2011
Bacteria	Lysobacter Gummosus	n/a		Zou et al., 2007
Bacteria	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Oenococcus Oeni	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Paenibacillus Sp. AD87	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Pandoraea Norimbergensis LMG 18379	n/a		Blom et al., 2011
Bacteria	Proteus Hauseri JN092591	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Pseudochrobactrum Saccharolyticum AM180484	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Pseudomonas Aeruginosa PA01	na	na	Briard et al., 2016
Bacteria	Pseudomonas Aeruginosa PUPa3	n/a		Blom et al., 2011
Bacteria	Pseudomonas Chlororaphis 450	bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegans	Rhizosphere of maize, Kiev region, Ukraine	Popova et al., 2014
Bacteria	Pseudomonas Chlororaphis R47	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Fluorescens R76	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Fluorescens WCS 417r	n/a		Blom et al., 2011
Bacteria	Pseudomonas Frederiksbergensis S04	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Frederiksbergensis S24	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Jessenii S34	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Perolens ATCC 10757	na	sterile fish muscle (Sebastes melanops)	Miller et al., 1973
Bacteria	Pseudomonas Putida ISOf	n/a		Blom et al., 2011
Bacteria	Pseudomonas Putida USB2105	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Putida USB2106	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Syringae S22	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Tolaasii NCPPB 2192	na	na	Cantore et al., 2015
Bacteria	Pseudomonas Tolaasii USB1	na	na	Cantore et al., 2015
Bacteria	Pseudomonas Tolaasii USB66	na	na	Cantore et al., 2015
Bacteria	Pseudomonas Veronii R02	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Vranovensis R01	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudonocardia Thermophila DSM 43832	na	soil	Wilkins, 1996
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014
Bacteria	Saccharomonospora Rectivirgula DSM 43113	na	soil	Wilkins, 1996
Bacteria	Saccharomonospora Viridis DSM 43017	na	soil	Wilkins, 1996
Bacteria	Serratia Entomophilia A1MO2	n/a		Blom et al., 2011
Bacteria	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Serratia Marcescens MG1	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica 4Rx13	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica AS9	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica HRO-C48	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica PRI-2C	stimulates growth of Pseudomonas fluorescens Pf0-1	maize rhizosphere, Netherlands	Garbeva et al., 2014
Bacteria	Serratia Proteamaculans 568	n/a		Weise et al., 2014
Bacteria	Serratia Proteamaculans 94	bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegans	spoiled meat	Popova et al., 2014
Bacteria	Serratia Proteamaculans B5a	n/a		Blom et al., 2011
Bacteria	Serratia Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Sporosarcina Ginsengisoli	n/a		Zou et al., 2007
Bacteria	Staphylococcus Aureus	n/a		Elgaali et al., 2002
Bacteria	Stenotrophomonas Maltophilia	n/a		Zou et al., 2007
Bacteria	Streptococcus Agalactiae ATCC 27541		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Streptococcus Thermophilus ATCC 14485		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus IFO 13014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 6445	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2
Bacteria	Streptomyces Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 243	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus IFO 12382	n/a		Schoeller et al., 2002
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Bacteria	Thermomonospora Fusca DSM 43792	na	soil	Wilkins, 1996
Bacteria	Tsukamurella Sp. AD106	na	na	Tyc et al., 2015
Bacteria	Wautersiella Falsenii AM238687	Nematicidal activity	cow dung	XU et al., 2015
Fungi	Aspergillus Versicolor Tiraboschi	na	damp indoor environments, food products	Sunesson et al., 1995
Fungi	Fusarium Sp.			Brock et al. 2012
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Sp.			Larsen 1999
Fungi	Phialophora Fastigiata Conant	na	na	Sunesson et al., 1995
Fungi	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Fungi	Tuber Magnatum	n/a	Italian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)	Gioacchini et al., 2008
Fungi	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Bacteria	Alcaligenes Faecalis YMF3Â·00172	na	na	Su et al., 2016
Bacteria	Bacillus Cereus YMF3Â·00019	na	na	Su et al., 2016
Bacteria	Brevibacterium Epidermidis YMF3Â·00155	na	na	Su et al., 2016
Bacteria	Enterobacter Cloacae SM 639	na	ubiquitary,intestinal	Schoeller et al., 1997
Bacteria	Escherichia Coli		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Leuconostoc Mesenteroides Subsp. Mesenteroides CI

Results for: Species: Serratia spp. B675 Signature

Acetic Acid

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3-hydroxybutan-2-one

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Propan-2-one

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Ethanol

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Phthalic Acid

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2-methylpropan-1-ol

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Propan-2-ol

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Butan-2-one

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2-methylpropanoic Acid

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1,2-xylene

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2-ethylhexan-1-ol

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Pentan-2-one

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Heptan-2-one

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Undecan-2-one

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2-methylbutanoic Acid

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Ethyl Acetate

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3-methylbutanoic Acid

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3-methylbutanal

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(methyldisulfanyl)methane

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Results for:
Species: Serratia spp. B675

Signature