Results for:
Species: Clostridium sp.

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

Butane-2,3-diol

Mass-Spectra

Compound Details

Synonymous names

Dimethylethylene glycol

Pseudobutylene glycol

Sym-dimethylethylene glycol

OWBTYPJTUOEWEK-UHFFFAOYSA-N

Dimethylene glycol

AC1Q2BQD

AC1L18UG

2,3-Dihydroxybutane

ACMC-1BUD7

KSC270E6J

ACMC-209euy

2,3-butanodiol

2,3-butanediol

7110AF

HMDB03156

2,3-Butandiol

B0681

CTK1H0264

ACMC-209gb6

2,3-butylene glycol

2,3-dihydroxy butane

2,3-dihydroxy-butane

RL03891

DL-2,3-Butanediol

A18844

CCRIS 5501

HSDB 1505

D-2,3-BUTANEDIOL

CHEMBL2312529

Butane-2,3-diol

OR035318

OR332866

OR094911

DL-2,3-BUTANDIOL

DTXSID8041321

2,3- butanediol

NSC249246

2,3-butane diol

Butan-2,3-diol

CHEBI:62064

SC-81338

LS-45795

levo-butane-2,3-diol

KB-67232

SC-08971

SC-08972

DSSTox_GSID_41321

ANW-41590

AN-23501

MFCD00004523

DSSTox_CID_21321

DSSTox_RID_79687

2D-PHARMALYTE (9CI)

TR-032024

NSC-249246

D-2,3-Butane diol

RTR-032024

DB-027533

AKOS009031391

FT-0696715

BRN 0969165

I14-19052

Z966690926

2,3-Butanediol (DL)

PROPOXY, 2-HYDROXY-1-METHYL-

Tox21_300789

2,3-Butanediol, 98%

2,3-BUTANEDIOL, 96%

513-85-9

NCGC00248169-01

NCGC00254693-01

CAS-513-85-9

EINECS 208-173-6

2,3-Butanediol, analytical standard, mixture of racemic and meso forms

35007-63-7

98923-25-2

123513-85-9

MolPort-003-927-421

2,3-Butanediol, Vetec(TM) reagent grade, 98%

4-01-00-02524 (Beilstein Handbook Reference)

2,3-Butanediol, [R-(R*,R*)]-

2,3-Butanediol, purum, mixture of racemic and meso forms, >=98.0% (GC)

2,3-Butanediol, puriss., mixture of racemic and meso forms, >=99.0% (GC)

2,3-Butanediol, (R*,R*)-(.+/-.)-

InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H

IUPAC name

butane-2,3-diol

SMILES

CC(C(C)O)O

Inchi

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

Formula

C₄H₁₀O₂

PubChem ID

262

Molweight

90.122

LogP

-0.38

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Boiling Point

Degree	Reference
182 deg C at 1 atm	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., p. 270

Volatilization

The Henry's Law constant for 2,3-butanediol is estimated as 2.9X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.24 mm Hg(1), and an assigned value for water solubility of 1.0X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that 2,3-butanediol is expected to be essentially nonvolatile from water surfaces(3). 2,3-Butanediol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 0.24 mm Hg(1).
Literature: (1) NIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry as of Mar 3, 2005. (2) Riddick JA et al; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. NY, NY: John Wiley and Sons p. 270 (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 2,3-butanediol is estimated as 7.5(SRC), using a log Kow of -0.92(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,3-butanediol is expected to have very high 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. 10 (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
0.243 mm Hg at 25 deg C	NIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry

MS-Links

MS-MS Spectrum 182253

MS-MS Spectrum 2205 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179921

MS-MS Spectrum 179920

MS-MS Spectrum 179919

MS-MS Spectrum 182254

MS-MS Spectrum 5848 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 2204 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2203 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5849 - EI-B (HITACHI M-80A) Positive

MS-MS Spectrum 182255

1D-NMR-Links

1D NMR Spectrum 4591

1D NMR Spectrum 1932 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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 Subtilis GB03	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.		Ryu 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 Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Bacillus Subtilis 168	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Burkholderia Thailandensis LMG 20219	n/a		Blom et al., 2011
Bacteria	Chromobacterium Violaceum CV0	n/a		Blom et al., 2011
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Escherichia Coli DH5a	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Serratia Proteamaculans B5a	n/a		Blom et al., 2011
Bacteria	Staphylococcus Saccharolyticus B5709		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Warneri CCM 2730		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	n/a		Blom et al., 2011
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	n/a		Splivallo et al., 2007
Fungi	Tuber Melanosporum	n/a		Splivallo et al., 2007
Fungi	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber			Splivllo et al. 2007
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a	n/a
Bacteria	Bacillus Subtilis GB03	n/a	n/a
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Bacillus Subtilis 168	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Burkholderia Thailandensis LMG 20219	Angle	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	Clostridium Sp.	n/a	n/a
Bacteria	Escherichia Coli DH5a	TSA	SPME-GC	no
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Serratia Proteamaculans B5a	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Staphylococcus Saccharolyticus B5709	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Warneri CCM 2730	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	n/a
Fungi	Tuber Melanosporum	n/a	n/a
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber			no
Bacteria	Streptomyces Spp.	n/a	n/a

Butanoic Acid

Mass-Spectra

Compound Details

Synonymous names

propanecarboxylate

Buttersaeure

Propanecarboxylic acid

butanate

butanoate

butyrate

FERIUCNNQQJTOY-UHFFFAOYSA-N

propylformic acid

1-propanecarboxylate

acide butanoique

acide butyrique

Ethyacetic Acid

ethylacetic acid

Kyselina maselna

butanoic acid

BUA

Butanic acid

butoic acid

butyric acid

BUTYRIC_ACID

Honey robber

NATURAL BUTYRIC ACID

1-propanecarboxylic acid

1ugp

3umq

AC1Q2UNL

ethyl acetic acid

Sodium n-butyrate

1-butanoate

1-butyrate

2-butanoate

Butyric acid, analytical standard

n-Butanoic acid

n-Butyric acid

Buttersaeure [German]

Butyrate, sodium salt

1-butanoic acid

AC1L18UM

1-Butyric acid

n-C3H7COOH

Nat. Butyric Acid

GTPL1059

Kyselina maselna [Czech]

ACMC-1C12J

Butyric acid (natural)

CHEMBL14227

NSC8415

TNFa + Sodium Butyrate

UN2820

40UIR9Q29H

B0754

BDBM26109

butanoic acid, 4

Butyric Acid (Normal)

C4:0

CTK0H6694

HMDB00039

HSDB 940

TNFa + NaBut

V2319

WLN: QV3

Butyric acid, >=99%

DB03568

LS-443

RL00334

bmse000402

C00246

CCRIS 6552

LTBB001653

UNII-40UIR9Q29H

ZINC895132

DTXSID8021515

FEMA Number 2221

LP066716

N-butyric acid, ethyl acetic acid

NSC 8415

NSC-8415

OR034221

OR199535

OR253313

STL169349

UN 2820

CHEBI:30772

DSSTox_CID_1515

PROPYL, 3-CARBOXY-

AN-42840

ANW-15867

BP-21420

CCG-35836

DSSTox_GSID_21515

KB-48536

NCIMech_000707

SC-11907

DSSTox_RID_76192

LMFA01010004

MFCD00002814

AI3-15306

RTR-001881

TR-001881

AKOS000118961

Butyric acid, >=99%, FG

W-108732

Bio1_000444

Bio1_000933

Bio1_001422

BRN 0906770

FEMA No. 2221

FT-0623295

FT-0686717

C4:0 (Lipid numbers)

CH3-[CH2]2-COOH

I14-10596

Z955123634

NCI60_001424

Tox21_202382

Tox21_300164

107-92-6

F2191-0094

1977-33-9

MCULE-4116382006

NCGC00247914-01

NCGC00247914-02

NCGC00253919-01

NCGC00259931-01

Butyric acid, 99% 100ml

CAS-107-92-6

EINECS 203-532-3

Butyric acid, SAJ special grade, >=99.5%

Butyric acid [UN2820] [Corrosive]

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

MolPort-001-769-669

24113-EP2272827A1

24113-EP2275401A1

24113-EP2281819A1

24113-EP2284146A2

24113-EP2284147A2

24113-EP2292611A1

24113-EP2292619A1

24113-EP2298763A1

24113-EP2298772A1

24113-EP2305633A1

24113-EP2305659A1

24113-EP2305808A1

24113-EP2308839A1

24113-EP2311810A1

24113-EP2311818A1

24113-EP2311825A1

24113-EP2311840A1

24113-EP2314590A1

24113-EP2380661A2

31560-EP2292597A1

31560-EP2295053A1

31560-EP2308858A1

31560-EP2311816A1

31560-EP2311817A1

81544-EP2275407A1

81544-EP2305687A1

81544-EP2305808A1

81544-EP2305825A1

Butyric acid [UN2820] [Corrosive]

butanoic acid, butanic acid, n-butyric acid, ethylacetic acid, propylformic acid, 1-propanecarboxylic acid

4-02-00-00779 (Beilstein Handbook Reference)

9B27B3D0-9643-40EC-9A5F-7CA1A6ED7F9F

InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6

IUPAC name

butanoic acid

SMILES

CCCC(=O)O

Inchi

InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)

Formula

CH₃CH₂CH₂COOH

PubChem ID

264

Molweight

88.106

LogP

0.92

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Volatilization

The Henry's Law constant for n-butanoic acid is measured as 5.35X10-7 atm-cu m/mole(1). This Henry's Law constant indicates that n-butanoic acid 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 64 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 471 days(SRC). A pKa of 4.82(3) indicates n-butanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(4). n-Butanoic acid's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Butanoic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.65 mm Hg(5).
Literature: (1) Butler JAV, Ramchandani CN; The Solubility of Non-Electrolytes. Part 2. J Chem Soc pp. 1952-5 (1935) (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. Techniques of Chemistry 4th ed. New York, NY, Wiley-Interscience 2 pp. 1325 (1986) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (5) Lide DR, ed; CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press (1995)

Soil Adsorption

The Koc of n-butanoic acid is estimated as 64(SRC), using a log Kow of 0.79(1) and a regression-derived equation(2). Experimental Koc values for n-butanoic acid on a clastic mud (3.5% organic carbon), a lateritic muddy sand (1.3% organic carbon), and a fine carbonate sand (0.17% organic carbon) were 19.1, 27.6, and 14.7, respectively(3). According to a classification scheme(4), these estimated and experimental Koc values suggest that n-butanoic acid is expected to have very high to high mobility in soil. The percent of n-butanoic acid sorbed to a kalonite or montmorillonite clay at 22 deg C was 14.0% and 19.9% after 48 hours, respectively, which increased to 31.4% and 24.2%, respectively, after 144 hours(5). In a field study in which 100 ppm n-butanoic acid was injected underground, the retardation, relative to the linear ground-water velocity, was calculated to be 3%(6). N-butanoic acid is listed as a compound displaying an L-type adsorption isotherm, indicating that specific binding sites may be involved(7). Experimental studies in indicate that adsorption of n-butanoic acid to moist soil is dominated by attractive forces between the compound and soil and not by hydrophobic interactions(8). The pKa of n-butanoic acid is 4.82(9), indicating that this compound will primarily exist in the anion in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(10).
Literature: (1) Sansone FJ et al; Geochim Cosmochim Acta 51: 1889-96 (1987) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Hemphill L et al; Proc 18th Indust Waste Conf 18: 204-17 (1964) (4) Sutton PA, Barker JF; Ground Water 23: 10-6 (1985) (5) Weber JB, Miller CT; Reactions and Movement of Organic Chemicals in Soils, SSSA Spec Publ No. 22: 305-33 (1989) (6) Ulrich H et al; Env Sci Tech 22: 37-41 (1988) (7) Riddick JA et al; Organic Solvents. Techniques of Chemistry 4th ed. New York, NY, Wiley-Interscience 2:pp. 1325 (1986) (8) 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
1.65 mm Hg at 25 deg C	Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 6-85

MS-Links

MS-MS Spectrum 2630 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 66 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 19870

MS-MS Spectrum 67 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 68 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 21419

MS-MS Spectrum 21421

MS-MS Spectrum 2632 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 21420

MS-MS Spectrum 2634 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 19869

MS-MS Spectrum 2631 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 19868

MS-MS Spectrum 2633 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

1D-NMR-Links

1D NMR Spectrum 5026

1D NMR Spectrum 5025

1D NMR Spectrum 1047 - Varian 500 MHz 1H NMR

1D NMR Spectrum 2112 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 1124 - Bruker 400 MHz 13C NMR

1D NMR Spectrum 2805 - NEVA 15.09 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Escherichia Coli	n/a		Tait et al., 2014
Bacteria	Klebsiella Pneumoniae	n/a		Tait et al., 2014
Bacteria	Lactobacillus Casei NCIB 8010	n/a		Tracey and Britz, 1989
Bacteria	Lactobacillus Paracasei CIRM849	na	Majorero cheese	PogaÄiÄ‡ et al., 2016
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
Bacteria	Staphylococcus Aureus	n/a		Tait et al., 2014
Bacteria	Staphylococcus Sciuri	induced E. balteatus oviposition	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Bacteria	Staphylococcus Sp.	n/a		Schulz and Dickschat, 2007
Fungi	Polysporus Sulfureus			Holighaus et al. 2015
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees et al 2016
Bacteria	Actinomyces Naeslundii		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Bifermentans		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Butyricum	n/a		Wiggins et al., 1985
Bacteria	Clostridium Cadaverum	n/a		Wiggins et al., 1985
Bacteria	Clostridium Fallax	n/a		Wiggins et al., 1985
Bacteria	Clostridium Perfringens		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	Coagulase Negative Staphylococci		milk of cows	Hettinga et al 2010
Bacteria	Enterobacter Cloacae		clinical exudates	Julak et al. 2003
Bacteria	Escherichia Coli		milk of cows	Hettinga et al 2010
Bacteria	Eubacterium Lentum		clinical exudates	Julak et al. 2003
Bacteria	Fusobacterium Necrophorum		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 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	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	Streptococcus Dysgalactiae		milk of cows	Hettinga et al 2010
Fungi	Candida Albicans		clinical exudates	Julak et al. 2003
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 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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Escherichia Coli	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column
Bacteria	Klebsiella Pneumoniae	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column
Bacteria	Lactobacillus Casei NCIB 8010	n/a	n/a
Bacteria	Lactobacillus Paracasei CIRM849	curd-based broth medium	GC/MS	Yes
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
Bacteria	Staphylococcus Aureus	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column
Bacteria	Staphylococcus Sciuri	872 liquid medium	SPME-GC/MS
Bacteria	Staphylococcus Sp.	n/a	n/a
Fungi	Polysporus Sulfureus			no
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Bacteria	Actinomyces Naeslundii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Bifermentans	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Butyricum	n/a	n/a
Bacteria	Clostridium Cadaverum	n/a	n/a
Bacteria	Clostridium Fallax	n/a	n/a
Bacteria	Clostridium Perfringens	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	Coagulase Negative Staphylococci		GCMS DSQ	no
Bacteria	Enterobacter Cloacae	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Escherichia Coli		GCMS DSQ	no
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	n/a	n/a
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	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	Streptococcus Dysgalactiae		GCMS DSQ	no
Fungi	Candida Albicans	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Fungi	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)

Formic Acid

Mass-Spectra

Compound Details

Synonymous names

Ameisensaeure

Ameisensaure

Formicacid

Formisoton

hydrogen carboxylate

methanoate

Mierenzuur

monocarboxylic acid

Oxomethanol

BDAGIHXWWSANSR-UHFFFAOYSA-N

formylate

Kyselina mravenci

Metacarbonoic acid

Myrmicyl

Amasil

aminate

Bilorin

Formira

Hydrogen carboxylic acid

Oxocarbinic acid

Sybest

Acide formique

Acido formico

Carboxy Group

Collo-bueglatt

Formylic acid

HCOOH

Kwas metaniowy

Methanoic acid

Methanoic acid monomer

Aminic acid

Collo-didax

FMT

formic acid

Formic acid anhydrous

forrnic acid

methoic acid

TBF

HCO2H

Hydroxy(oxo)methane

Add-F

FORMIC ACID,COPPER SALT

H-COOH

Ameisensaeure [German]

CH2O2

FORMIC ACID LEAD SALT

Spirit of formic acid

AC1Q77UV

C1 acid

FORMIC ACID ACS REAGENT GRADE

Formic acid, natural

ACMC-1B5TQ

Mierenzuur [Dutch]

AC1L18W7

E236

FORMIC ACID, ACS

KSC353I1B

Kyselina mravenci [Czech]

Acide formique [French]

Acido formico [Italian]

FORMIC ACID 88%

Kwas metaniowy [Polish]

METHOXY, OXO-

UN1779

0YIW783RG1

CTK2F3410

F0513

F0654

Formic Acid (Fragrance Grade)

Formic Acid (Industrial Grade)

Formic acid (natural)

HMDB00142

Wonderbond Hardener M 600L

Y1306

CHEMBL116736

DB01942

bmse000203

C00058

CCRIS 6039

HSDB 1646

LTBB002135

RCRA waste number U123

UNII-0YIW783RG1

DTXSID2024115

Formic Acid 88% Reagent Grade ACS

IN012521

LS-1540

OR034068

OR226737

OR226738

OR226739

OR330691

STL264243

UN 1779

A834666

CHEBI:30751

AN-41866

ANW-43808

BP-21436

Formic acid, United States Pharmacopeia (USP) Reference Standard

SC-22724

TRA0031519

MFCD00003297

AI3-24237

DB-029851

FORMIC ACID 88%, ACS GRADE

Formic acid, purum, >=85%

RTR-022015

TR-022015

AKOS000269044

EPA Pesticide Chemical Code 214900

Formic acid, reagent grade, >=95%

Formic acid, technical grade, 85%

I14-8126

J-521387

RCRA waste no. U123

FEMA No. 2487

Formic acid, ACS reagent, >=96%

Formic acid, AR, >=90%

Formic acid, AR, >=98%

Formic acid, LR, >=85%

Formic acid, LR, >=98%

FT-0602327

FT-0626533

FT-0668804

FT-0671678

64-18-6

Formic acid, 95-97%

992-98-3

F1908-0082

Formic acid with more than 85% acid by mass

8006-93-7

MCULE-7175589186

NCGC00248718-01

EINECS 200-579-1

Formic acid, >=95%, FCC, FG

Formic acid, ACS reagent, >=96.0%

82069-14-5

Formic acid, JIS special grade, >=98.0%

Formic acid, Vetec(TM) reagent grade, 95%

Formic acid [UN1779] [Corrosive]

Formic acid, ACS reagent, 88-91%

Formic acid, p.a., 85%

MolPort-000-871-952

141-53-7 (hydrochloride salt)

540-69-2 (ammonium salt)

557-39-1 (magnesium salt)

590-29-4 (potassium salt)

592-89-2 (strontium salt)

Formate, Ion chromatography standard solution, Specpure?, HCO2? 1000 ?g/ml

Formic acid [UN1779] [Corrosive]

544-17-2 (calcium salt)

556-63-8 (lithium salt)

Formic acid solution, BioUltra, 1.0 M in H2O

3495-35-0 (rubidium salt)

557-41-5 (zinc salt)

7360-53-4 (aluminum salt)

3495-36-1 (cesium salt)

4464-23-7 (cadmium salt)

7056-83-9 (unspecified lead salt)

15843-02-4 (unspecified nickel salt)

15907-03-6 (unspecified copper salt)

68310-83-8 (unspecified copper-ammonium salt)

68134-59-8 (unspecified copper-nickel salt)

Formate standard for IC, 1.000 g/L in H2O, analytical standard

Formic acid, SAJ first grade, 88.0-89.5%

992-98-3 (thallium(+1) salt)

544-18-3 (cobalt(+2) salt)

544-19-4 (copper(+2) salt)

811-54-1 (lead(+2) salt)

3349-06-2 (nickel(+2) salt)

27115-36-2 (chromium(+3) salt)

InChI=1/CH2O2/c2-1-3/h1H,(H,2,3

Formic acid, puriss., meets analytical specifications of DAC, FCC, 98.0-100%

70179-79-2 (ammonium[4:1] salt)

Formic acid, p.a., ACS reagent, 98.0-100.0%

Formic acid, puriss. p.a., ACS reagent, reag. Ph. Eur., >=98%

63182-21-8 (chromium(+3)-hydrochloride[4:1:1] salt)

IUPAC name

formic acid

SMILES

C(=O)O

Inchi

InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)

Formula

HCOOH

PubChem ID

284

Molweight

46.025

LogP

-0.27

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Volatilization

The Henry's Law constant for formic acid is 1.67X10-7 atm-cu m/mole(1). This Henry's Law constant indicates that formic acid 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 150 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 1100 days(SRC). Formic acid's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of formic acid from dry soil surfaces may exist(SRC) based upon a vapor pressure of 42.6 mm Hg(3).
Literature: (1) Gaffney JS et al; Environ Sci Technol 21: 519-523 (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; Data Compilation Tables of Properties of Pure Compounds. American Institute of Chemical Engineers (1985)

Soil Adsorption

The Koc of formic acid is estimated as 1(SRC), using a log Kow of -0.54(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that formic acid is expected to have very high mobility in soil. The pKa of formic acid is 3.75(4), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(5).
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. 3 (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) (4) Riddick JA et al; Organic Solvents. Techniques of Chemistry 2. 4th ed, New York, NY: Wiley-Interscience p. 360 (1986) (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
42.59 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., p. 4904

MS-Links

MS-Links

1D-NMR-Links

1D NMR Spectrum 1165 - Bruker 400 MHz 13C NMR

1D NMR Spectrum 3951

1D NMR Spectrum 1107 - Varian 500 MHz 1H NMR

1D NMR Spectrum 4875

1D NMR Spectrum 4876

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Clostridium Sp.	n/a	n/a

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

113-EP2269985A2

113-EP2269986A1

113-EP2269989A1

113-EP2269990A1

113-EP2269991A2

113-EP2269994A1

113-EP2269995A1

113-EP2270000A1

113-EP2270004A1

113-EP2270005A1

113-EP2270006A1

113-EP2270008A1

113-EP2270009A1

113-EP2270010A1

113-EP2270011A1

113-EP2270012A1

113-EP2270013A1

113-EP2270014A1

113-EP2270017A1

113-EP2270101A1

113-EP2270113A1

113-EP2270114A1

113-EP2270505A1

113-EP2272516A2

113-EP2272517A1

113-EP2272813A2

113-EP2272817A1

113-EP2272822A1

113-EP2272825A2

113-EP2272832A1

113-EP2272834A1

113-EP2272835A1

113-EP2272839A1

113-EP2272840A1

113-EP2272841A1

113-EP2272843A1

113-EP2272844A1

113-EP2272847A1

113-EP2272848A1

113-EP2272849A1

113-EP2272935A1

113-EP2272972A1

113-EP2272973A1

113-EP2274983A1

113-EP2275102A1

113-EP2275105A1

113-EP2275398A1

113-EP2275401A1

113-EP2275404A1

113-EP2275409A1

113-EP2275410A1

113-EP2275411A2

113-EP2275412A1

113-EP2275413A1

113-EP2275414A1

113-EP2275417A2

113-EP2275418A1

113-EP2275420A1

113-EP2275421A1

113-EP2275424A1

113-EP2275427A1

113-EP2275469A1

113-EP2277507A1

113-EP2277848A1

113-EP2277861A1

113-EP2277862A2

113-EP2277867A2

113-EP2277872A1

113-EP2277874A1

113-EP2277876A1

113-EP2277877A1

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113-EP2280001A1

113-EP2280003A2

113-EP2280004A1

113-EP2280005A1

113-EP2280008A2

113-EP2280009A1

113-EP2280010A2

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113-EP2284146A2

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113-EP2295419A2

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113-EP2295422A2

113-EP2295423A1

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139-EP2371823A1

139-EP2371831A1

139-EP2372017A1

139-EP2372804A1

139-EP2374454A1

139-EP2374538A1

139-EP2374780A1

139-EP2374781A1

139-EP2374783A1

139-EP2374788A1

139-EP2374790A1

139-EP2374791A1

139-EP2374792A1

139-EP2374895A1

139-EP2377510A1

139-EP2377841A1

139-EP2377845A1

139-EP2377847A1

139-EP2378585A1

139-EP2380568A1

139-EP2380872A1

139-EP2380873A1

139-EP2380874A2

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

1037-EP2302382A2

1037-EP2302383A2

1037-EP2305243A1

1037-EP2305254A1

1037-EP2305679A1

1037-EP2305684A1

1037-EP2305689A1

1037-EP2308479A2

1037-EP2308861A1

1037-EP2308872A1

1037-EP2308873A1

1037-EP2308875A1

1037-EP2311453A1

1037-EP2311809A1

1037-EP2311814A1

1037-EP2311821A1

1037-EP2311824A1

1037-EP2311831A1

1037-EP2311832A1

1037-EP2311833A1

1037-EP2311837A1

1037-EP2311840A1

1037-EP2311842A2

1037-EP2314584A1

1037-EP2316459A1

1037-EP2316470A2

1037-EP2316829A1

1037-EP2316831A1

1037-EP2316832A1

1037-EP2316833A1

1037-EP2316834A1

1037-EP2316835A1

1037-EP2316836A1

1037-EP2374454A1

4260-EP2269977A2

4260-EP2269988A2

4260-EP2269996A1

4260-EP2270000A1

4260-EP2270001A1

4260-EP2270002A1

4260-EP2270003A1

4260-EP2270006A1

4260-EP2270008A1

4260-EP2270010A1

4260-EP2270011A1

4260-EP2270012A1

4260-EP2270013A1

4260-EP2270015A1

4260-EP2270018A1

4260-EP2272510A1

4260-EP2272825A2

4260-EP2272826A1

4260-EP2272839A1

4260-EP2272840A1

4260-EP2272848A1

4260-EP2275102A1

4260-EP2275412A1

4260-EP2275413A1

4260-EP2277848A1

4260-EP2277867A2

4260-EP2277874A1

4260-EP2277875A2

4260-EP2277877A1

4260-EP2279741A2

4260-EP2280003A2

4260-EP2280006A1

4260-EP2280008A2

4260-EP2280010A2

4260-EP2281563A1

4260-EP2281812A1

4260-EP2281813A1

4260-EP2281819A1

4260-EP2281822A1

4260-EP2281861A2

4260-EP2284157A1

4260-EP2284174A1

4260-EP2286811A1

4260-EP2287156A1

4260-EP2287159A1

4260-EP2287165A2

4260-EP2287166A2

4260-EP2287167A1

4260-EP2289509A2

4260-EP2289881A1

4260-EP2289883A1

4260-EP2289893A1

4260-EP2289894A2

4260-EP2292589A1

4260-EP2292593A2

4260-EP2292612A2

4260-EP2292617A1

4260-EP2292620A2

4260-EP2292628A2

4260-EP2295055A2

4260-EP2295401A2

4260-EP2295402A2

4260-EP2295409A1

4260-EP2295411A1

4260-EP2295412A1

4260-EP2295413A1

4260-EP2295416A2

4260-EP2295417A1

4260-EP2295426A1

4260-EP2295427A1

4260-EP2295428A2

4260-EP2295429A1

4260-EP2295432A1

4260-EP2295433A2

4260-EP2295435A1

4260-EP2295437A1

4260-EP2295441A2

4260-EP2295503A1

4260-EP2298312A1

4260-EP2298734A2

4260-EP2298735A1

4260-EP2298743A1

4260-EP2298744A2

4260-EP2298748A2

4260-EP2298750A1

4260-EP2298761A1

4260-EP2298762A2

4260-EP2298770A1

4260-EP2298775A1

4260-EP2298776A1

4260-EP2298780A1

4260-EP2301536A1

4260-EP2301538A1

4260-EP2301544A1

4260-EP2301627A1

4260-EP2301923A1

4260-EP2301928A1

4260-EP2301930A1

4260-EP2301934A1

4260-EP2301939A1

4260-EP2305250A1

4260-EP2305644A1

4260-EP2305648A1

4260-EP2305652A2

4260-EP2305660A1

4260-EP2305671A1

4260-EP2305676A1

4260-EP2305681A1

4260-EP2305682A1

4260-EP2305684A1

4260-EP2305687A1

4260-EP2305689A1

4260-EP2305695A2

4260-EP2305696A2

4260-EP2305697A2

4260-EP2305698A2

4260-EP2305769A2

4260-EP2305808A1

4260-EP2308833A2

4260-EP2308840A1

4260-EP2308841A2

4260-EP2308844A2

4260-EP2308845A2

4260-EP2308846A2

4260-EP2308848A1

4260-EP2308849A1

4260-EP2308850A1

4260-EP2308851A1

4260-EP2308852A1

4260-EP2308861A1

4260-EP2308867A2

4260-EP2308870A2

4260-EP2308872A1

4260-EP2308873A1

4260-EP2308875A1

4260-EP2308876A1

4260-EP2308879A1

4260-EP2311453A1

4260-EP2311455A1

4260-EP2311802A1

4260-EP2311803A1

4260-EP2311806A2

4260-EP2311807A1

4260-EP2311808A1

4260-EP2311821A1

4260-EP2311824A1

4260-EP2311825A1

4260-EP2311826A2

4260-EP2311829A1

4260-EP2311830A1

4260-EP2311831A1

4260-EP2311838A1

4260-EP2311840A1

4260-EP2311842A2

4260-EP2314295A1

4260-EP2314576A1

4260-EP2314586A1

4260-EP2314593A1

4260-EP2315502A1

4260-EP2316452A1

4260-EP2316824A1

4260-EP2316827A1

4260-EP2316829A1

4260-EP2316831A1

4260-EP2316835A1

4260-EP2316836A1

4260-EP2316905A1

4260-EP2316906A2

4260-EP2371813A1

4260-EP2374454A1

4260-EP2374790A1

4260-EP2377845A1

4260-EP2377849A2

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

Methanol

Mass-Spectra

Compound Details

Synonymous names

Monohydroxymethane

Hydroxymethylidyne radical

Hydroxymethane

Hydroxymethyl

Methylalcohol

Methylalkohol

Bieleski's solution

Eureka Products Criosine Disinfectant

ADSJRDYXKYXFKM-UHFFFAOYSA-N

Alcool methylique

carbinol

Carbonal

Columbian spirits

Ideal Concentrated Wood Preservative

Metanolo

methanol

Methylol

OKKJLVBELUTLKV-UHFFFAOYSA-N

OXYMETHYLENE BRIDGING GROUP

Pyroxylic spirits

Alcool metilico

Alkohol metylowy

Colonial Spirit

Colonial spirits

Columbian Spirit

hydroxyl carbon

menthol crystal

Metanol

Methanol cluster

Methyl hydroxide

Methylic alcohol

Metylowy alkohol

Pyroxylic spirit

RFPDX@

MeOH

Methanol-water mixture

Methoxy Group

methyl alcohol

Methyl hydrate

MetOH

Wood

Methanol NF

Methanol, analytical standard

Methanol, Environmental Grade

MOH

OMB

OME

Pyro alcohol

Solutions, Bieleski's

wood alcohol

Wood naphtha

Wood spirit

CH3OH

Freers Elm Arrester

JandaJel™-OH

Methanol HPLC Gradient Grade

methanol-

Methanol, anhydrous

Methanol, Biograde

Methanol, ultrapure, Spectrophotometric Grade

AC1O5DUN

CH4O

Eureka Products, Criosine

Methanol Reagent Grade ACS

Alcohol, methyl

Methanol LC-MS

Methanol, NMR reference standard

Spirit of wood

Wilbur-Ellis Smut-Guard

Methylalkohol [German]

Nat. Methanol

1 -Napthaldehyde

AC1Q41DX

HYD-CH2

Methanol (Recovered)

Methanol, ACS Grade

Methanol, HPLC grade

Methanol, suitable for determination of dioxins

ACMC-1C6GT

Alcool methylique [French]

Metanol [Spanish]

Metanolo [Italian]

Methanol, BioReagent, suitable for protein sequencing

Methanol, for HPLC

Methanol, or methyl alcohol

Methanol, SAJ special grade

Surflo-B17

AC1L1A92

Alcool metilico [Italian]

HSDB 93

KSC272E0H

methanol (methyl alcohol)

Methanol (Peptide Grade)

Methanol GC, for residue analysis

Methanol, low water for titration

Methanol, pharmaceutical secondary standard; traceable to USP

Metylowy alkohol [Polish]

UNII-N4G9GAT76C component OKKJLVBELUTLKV-UHFFFAOYSA-N

8292AF

CB0177

CHEMBL14688

Methanol, spectrophotometric grade, >=99%

Methanol, ultrapure, HPLC Grade

UN1230

CTK1H2203

HMDB01875

M0097

M0628

WLN: Q1

Y4S76JWI15

Methyl alcohol (NF)

Methyl alcohol [NF]

NSC85232

RL04579

X-Cide 402 Industrial Bactericide

bmse000294

C00132

CCRIS 2301

Coat-B1400

D02309

LTBB002976

Rcra waste number U154

UNII-Y4S76JWI15

DTXSID2021731

LS-1564

Methanol, Absolute - Acetone free

OR034284

OR079735

OR242169

OR283105

OR325435

UN 1230

300138X

CHEBI:17790

Columbian spirits

DSSTox_CID_1731

Methyl alcohol, United States Pharmacopeia (USP) Reference Standard

AN-41892

ANW-42510

DSSTox_GSID_21731

Methanol solution, technical grade, 95%

NSC 85232

NSC-85232

SC-46858

Caswell No. 552

DSSTox_RID_76297

Methanol, LR, >=99%

MFCD00004595

AI3-00409

RTR-022695

TR-022695

AKOS000269045

EPA Pesticide Chemical Code 053801

Epitope ID:116865

Methanol, >=99.8%, for chromatography

Methanol, ACS spectrophotometric grade, >=99.9%

Methanol, anhydrous, >=99.5%

Methanol, Laboratory Reagent, >=99.6%

RCRA waste no. U154

FT-0623465

FT-0628297

Methanol, anhydrous, 99.8%

Methanol, purification grade, 99.8%

67-56-1

I14-12647

Methanol, >=99.8%, suitable for absorption spectrum analysis

Tox21_111094

Tox21_202523

Methanol with 0.1% trifluoroacetic acid, tested for UHPLC-MS

Methanol, ACS reagent, >=99.8%

Methanol, AR, >=99.5%

Methanol, HPLC gradient, 99.9%

Methanol, UV HPLC spectroscopic, 99.9%

CAS-67-56-1

Methanol, 99.8%, ACS reagent

Methanol, 99% 500ml

Methanol, for HPLC, >=99.8%

Methanol, for HPLC, >=99.9%

Methanol, HPLC Plus, >=99.9%

Methanol, JIS special grade, >=99.8%

Methanol, PRA grade, >=99.9%

MCULE-1370061678

Methanol solution, for protein sequence analysis, ~50% in H2O

Methanol, SAJ first grade, >=99.5%

NCGC00091172-01

NCGC00260072-01

EINECS 200-659-6

54841-71-3

Methanol, suitable for protein sequencing, BioReagent, >=99.93%

170082-17-4

InChI=1/CH4O/c1-2/h2H,1H

Residual Solvent Class 2 - Methanol, United States Pharmacopeia (USP) Reference Standard

Methanol, for HPLC, gradient grade, >=99.9%

Methanol, for residue analysis, suitable for 5000 per JIS

MolPort-000-871-956

1173023-83-0

Methanol, HPLC Plus, >=99.9%, poly-coated bottles

Methanol, semiconductor grade PURANAL(TM) (Honeywell 17824)

Methanol solution, contains 0.1 % (v/v) trifluoroacetic acid

Methanol, p.a., 99.8%

Methanol, p.a., 99.9%

Methanol solution, contains 0.50 % (v/v) triethylamine

Methanol, for HPLC, gradient grade, 99.93%

Methanol, semiconductor grade VLSI PURANAL(TM) (Honeywell 17744)

A(3/4)(3/4)<<

Methanol, Vetec(TM) reagent grade, anhydrous, >=99.8%

Methanol solution, (Methanol:Dichloromethane 1:1 (v/v))

Methanol solution, (Methanol:Acetonitrile 1:1 (v/v))

Methanol solution, (Methanol:Dimethyl sulfoxide 1:1 (v/v))

Methanol solution, contains 0.10 % (v/v) formic acid

Methanol, or methyl alcohol [UN1230] [Flammable liquid, Poison]

Methanol, for HPLC, gradient grade, >=99.8% (GC)

Methanol, for HPLC, gradient grade, suitable as ACS-grade LC reagent, >=99.9%

Methanol, or methyl alcohol [UN1230] [Flammable liquid, Poison]

Methanol, suitable for 300 per JIS, >=99.8%, for residue analysis

Methanol, puriss., meets analytical specification of Ph Eur, >=99.7% (GC)

Methanol, suitable for 1000 per JIS, >=99.8%, for residue analysis

Moisture in methanol, 93 mg/kg, NIST(R) SRM(R) 8509

Methanol, puriss. p.a., absolute, ACS reagent, >=99.8% (GC)

Moisture in methanol, 325 mg/kg, NIST(R) SRM(R) 8510

Methanol solution, contains 0.10 % (v/v) trifluoroacetic acid, 10 % (v/v) water

Methanol solution, contains 0.1 % (v/v) trifluoroacetic acid, 5 % (v/v) water, for HPLC

Methanol solution, for HPLC, contains 10 % (v/v) water, 0.1 % (v/v) trifluoroacetic acid

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

JandaJel(TM)-OH, 50-100 mesh, extent of labeling: 1.0 mmol/g OH loading, 2 % cross-linked

JandaJel(TM)-OH, 100-200 mesh, extent of labeling: 1.0 mmol/g OH loading, 2 % cross-linked

JandaJel(TM)-OH, 200-400 mesh, extent of labeling: 1.0 mmol/g OH loading, 2 % cross-linked

Methanol solution, NMR reference standard, 4% in methanol-d4 (99.8 atom % D), NMR tube size 3 mm x 8 in.

Methanol solution, NMR reference standard, 4% in methanol-d4 (99.8 atom % D), NMR tube size 5 mm x 8 in.

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

IUPAC name

methanol

SMILES

Inchi

InChI=1S/CH4O/c1-2/h2H,1H3

Formula

CH₃OH

PubChem ID

887

Molweight

32.042

LogP

-0.52

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

The measured Henry's Law constant for methanol at 25 deg C is 4.55X10-6 atm-cu m/mole(SRC)(1). This Henry's Law constant indicates that methanol 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 4.6 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 35 days(SRC). Methanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methanol from dry soil surfaces may exist(SRC) based upon a vapor pressure of 127 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) Boublik T et al, eds; The Vapour Pressures of Pure Substances. 2nd rev ed. Amsterdam: Elsevier (1984)

Soil Adsorption

The measured Koc for methanol is reported to be 2.75(1). According to a classification scheme(2), this estimated Koc value suggests that methanol is expected to have very high mobility in soil(SRC).
Literature: (1) Schuurmann G et al; Environ Sci Technol (supplemental material) 40: 7005-7011 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
127 mm Hg at 25 deg C	Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.

MS-Links

MS-MS Spectrum 1768 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 22045

MS-MS Spectrum 20492

MS-MS Spectrum 20494

MS-MS Spectrum 1770 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 22043

MS-MS Spectrum 22044

MS-MS Spectrum 5532 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 1769 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 20493

1D-NMR-Links

1D NMR Spectrum 2575 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 3271 - NEVA 15.09 MHz 13C NMR

1D NMR Spectrum 1773 - Bruker 600 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Clostridium Difficile R002	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R013	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R014/R020	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R026	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R027	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R076	na	na	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R078	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R087	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Escherichia Coli	n/a		Bunge et al., 2008
Bacteria	Salmonella Enterica	n/a		Bunge et al., 2008
Bacteria	Shigella Flexneri	n/a		Bunge et al., 2008
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Clostridium Difficile R002	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R013	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R014/R020	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R026	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R027	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R076	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R078	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R087	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Escherichia Coli	n/a	n/a
Bacteria	Salmonella Enterica	n/a	n/a
Bacteria	Shigella Flexneri	n/a	n/a
Fungi	Candida Tropicalis	n/a	n/a

Propanoic Acid

Mass-Spectra

Compound Details

Synonymous names

ethanecarboxylate

Carboxyethane

Ethanecarboxylic acid

metacetonate

methylacetate

PropionicAcid

Propionsaeure

pseudoacetate

Kyselina propionova

propanoate

propionate

acide propanoique

Acide propionique

Luprisol

Luprosil

methylacetic acid

Monoprop

Propcorn

Propkorn

Pseudoacetic acid

XBDQKXXYIPTUBI-UHFFFAOYSA-N

ethylformic acid

Metacetonic acid

Propionoic acid

Prozoin

NATURAL PROPIONIC ACID

Propanoic acid

Propanyl acid

Propioic acid

propionic acid

Sentry grain preserver

Antischim B

Propionic acid grain preserver

propoic acid

Methyl acetic acid

Propionic Acid Reagent Grade

Toxi-Check

AC1L1AKT

AC1Q2SKR

C2H5COOH

n-propionic acid

Propionic acid, analytical standard

Tenox P grain preservative

2-methylacetic acid

Methylacetic Acid, Propanoic Acid

JHU490RVYR

1-propanoic acid

Acid C3

C3 acid

Acide propionique [French]

C3H6O2

Kyselina propionova [Czech]

UNII-JHU490RVYR

E280

GTPL1062

KSC377K4B

Propionic acid (natural)

S067

CHEMBL14021

UN1848

C1-5 Carboxylic acids

C3:0

CH3-CH2-COOH

CTK2H7540

HMDB00237

P0500

Propionic acid, >=99%

DB03766

Propionic acid (NF)

Propionic acid [NF]

Propionic acid, 99%

Propionic Acid, Ethanecarboxylic Acid, Methylacetic Acid, Propanoic Acid

RL05053

bmse000179

C00163

CCRIS 6096

D02310

HSDB 1192

LTBB001652

DNC000832

DTXSID8025961

FEMA Number 2924

LS-1771

OR033967

OR226045

OR246996

OR253314

OR328316

Propanoic acid (9CI)

Propionic acid [USAN:NF]

STL168039

UN 1848

ACMC-20977b

Carboxylic acids, C1-5

CHEBI:30768

DSSTox_CID_5961

ETHYL, 1-CARBOXY-

ETHYL, 2-CARBOXY-

Propionic acid, United States Pharmacopeia (USP) Reference Standard

ZINC6050663

ANW-13605

BP-20411

DSSTox_GSID_25961

KB-59985

PROPOXY, 1-OXO-

SC-22887

BDBM50082199

Caswell No. 707

LMFA01010003

MFCD00002756

Propionic acid, >=99.5%

AI3-04167

Propionic acid, 99.5%

RTR-025212

TR-025212

AKOS000118853

EPA Pesticide Chemical Code 077702

Epitope ID:139981

I04-0849

Propionic acid (6CI,8CI)

Propionic acid, 99%, FCC

BRN 0506071

Fatty acids, C3-24

FEMA No. 2924

FT-0658557

79-09-4

Propionic acid, 99% 1kg

Tox21_304030

(C3-C24) Fatty acids

F2191-0098

CAS-79-09-4

Propionic acid, ACS reagent, >=99.5%

Propionic acid, for synthesis, 99.5%

Propionic acid, natural, 99%, FG

MCULE-2199051150

NCGC00357239-01

Propionic acid, BioReagent, suitable for insect cell culture, ~99%

EINECS 201-176-3

EINECS 273-079-4

EINECS 273-598-6

Propionic acid, feed grade, 98.7%

68937-68-8

68990-37-4

Propionic acid [UN1848] [Corrosive]

Propionic acid, SAJ first grade, >=98.0%

613-EP2269610A2

613-EP2269986A1

613-EP2269988A2

613-EP2270008A1

613-EP2270011A1

613-EP2270113A1

613-EP2272935A1

613-EP2275401A1

613-EP2275407A1

613-EP2275413A1

613-EP2277848A1

613-EP2277858A1

613-EP2277867A2

613-EP2277878A1

613-EP2277880A1

613-EP2280003A2

613-EP2280013A1

613-EP2280014A2

613-EP2281563A1

613-EP2281819A1

613-EP2284146A2

613-EP2284147A2

613-EP2284159A1

613-EP2284160A1

613-EP2284169A1

613-EP2284174A1

613-EP2287152A2

613-EP2287153A1

613-EP2287155A1

613-EP2287156A1

613-EP2287161A1

613-EP2287162A1

613-EP2287168A2

613-EP2289510A1

613-EP2289883A1

613-EP2289890A1

613-EP2289965A1

613-EP2292597A1

613-EP2292599A1

613-EP2292606A1

613-EP2292609A1

613-EP2292610A1

613-EP2292617A1

613-EP2292619A1

613-EP2295055A2

613-EP2295409A1

613-EP2295424A1

613-EP2295435A1

613-EP2295438A1

613-EP2298731A1

613-EP2298735A1

613-EP2298747A1

613-EP2298757A2

613-EP2298763A1

613-EP2298772A1

613-EP2298779A1

613-EP2298828A1

613-EP2301918A1

613-EP2301922A1

613-EP2301924A1

613-EP2301931A1

613-EP2301937A1

613-EP2301940A1

613-EP2305257A1

613-EP2305633A1

613-EP2305641A1

613-EP2305646A1

613-EP2305649A1

613-EP2305651A1

613-EP2305659A1

613-EP2305666A1

613-EP2305683A1

613-EP2305684A1

613-EP2305808A1

613-EP2308838A1

613-EP2308839A1

613-EP2308848A1

613-EP2308851A1

613-EP2308854A1

613-EP2308857A1

613-EP2308858A1

613-EP2308869A1

613-EP2309584A1

613-EP2311453A1

613-EP2311796A1

613-EP2311797A1

613-EP2311798A1

613-EP2311799A1

613-EP2311801A1

613-EP2311802A1

613-EP2311803A1

613-EP2311807A1

613-EP2311809A1

613-EP2311811A1

613-EP2311816A1

613-EP2311817A1

613-EP2311818A1

613-EP2311824A1

613-EP2311830A1

613-EP2311839A1

613-EP2311842A2

613-EP2311850A1

613-EP2314586A1

613-EP2314588A1

613-EP2314589A1

613-EP2314590A1

613-EP2314593A1

613-EP2316457A1

613-EP2316458A1

613-EP2316459A1

613-EP2316825A1

613-EP2316826A1

613-EP2316827A1

613-EP2316828A1

613-EP2316837A1

613-EP2316937A1

613-EP2371803A1

613-EP2371814A1

613-EP2377843A1

613-EP2380568A1

784139-72-6

MolPort-000-871-576

Top distillation cut by-product acids, monobasic (C1-C5)

1032826-44-0

Propionic acid [UN1848] [Corrosive]

Propionic acid, >=99.5%, FCC, FG

11906-EP2269978A2

11906-EP2269985A2

11906-EP2269991A2

11906-EP2284150A2

11906-EP2284151A2

11906-EP2284152A2

11906-EP2284153A2

11906-EP2284155A2

11906-EP2284156A2

11906-EP2284164A2

11906-EP2287140A2

11906-EP2287148A2

11906-EP2287150A2

11906-EP2289871A1

11906-EP2292590A2

11906-EP2295419A2

11906-EP2298732A1

11906-EP2301534A1

11906-EP2301912A2

11906-EP2301913A1

11906-EP2301914A1

11906-EP2301916A2

11906-EP2305637A2

11906-EP2308832A1

11906-EP2308863A1

11906-EP2311451A1

11906-EP2311796A1

11906-EP2311797A1

11906-EP2311798A1

11906-EP2311799A1

11906-EP2316450A1

32532-EP2295430A2

32532-EP2295431A2

32532-EP2301544A1

32532-EP2301933A1

32532-EP2305825A1

32532-EP2311824A1

32532-EP2311827A1

557-28-8 (zinc salt)

4-02-00-00695 (Beilstein Handbook Reference)

Propionic acid, puriss. p.a., >=99.5% (GC)

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5

IUPAC name

propanoic acid

SMILES

CCC(=O)O

Inchi

InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

Formula

CH₃CH₂COOH

PubChem ID

1032

Molweight

74.079

LogP

0.48

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Volatilization

A pKa of 4.87(1) indicates propionic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Propionic acid is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 3.35 mm Hg(3).
Literature: (1) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979) (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; Data Compilation, Tables of Properties of Pure Cmpds, Design Inst for Phys Prop Data. NY, NY: Am Inst for Phys Prop Data (1985)

Soil Adsorption

The Koc of propionic acid is estimated as 36(SRC), using a log Kow of 0.33(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propionic acid is expected to have very high mobility in soil. The pKa of propionic acid is 4.87(4), indicating that this compound will primarily exist 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) 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. 6 (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) (4) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979) (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
3.53 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 3718 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 20646

MS-MS Spectrum 398 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 22282

MS-MS Spectrum 22280

MS-MS Spectrum 3715 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 22196

MS-MS Spectrum 20731

MS-MS Spectrum 3716 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 397 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 399 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 20730

MS-MS Spectrum 20729

MS-MS Spectrum 22198

MS-MS Spectrum 3719 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

MS-MS Spectrum 22197

MS-MS Spectrum 3714 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 3717 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 20647

MS-MS Spectrum 20645

MS-MS Spectrum 22281

1D-NMR-Links

1D NMR Spectrum 1213 - Bruker 400 MHz 13C NMR

1D NMR Spectrum 2649 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 4983

1D NMR Spectrum 3335 - Varian 25.16 MHz 13C NMR

1D NMR Spectrum 4982

1D NMR Spectrum 1257 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Escherichia Coli	n/a		Julak et al., 2003
Bacteria	Klebsiella Pneumoniae	n/a		Julak et al., 2003
Bacteria	Pseudomonas Flureorescens SBW25			Cheng et al. 2016
Bacteria	Staphylococcus Sp.	n/a		Schulz and Dickschat, 2007
Fungi	Penicillium Camemberti			Larsen 2001
Fungi	Penicillium Caseifulvum			Larsen 2001
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees et al 2016
Bacteria	Acinetobacter Baumanii		clinical exudates	Julak et al. 2003
Bacteria	Actinomyces Naeslundii		clinical exudates	Julak et al. 2003
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	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 Cadaverum	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	Clostridium Tertium		clinical exudates	Julak et al. 2003
Bacteria	Escherichia Coli		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Eubacterium Lentum		clinical exudates	Julak et al. 2003
Bacteria	Fusobacterium Necrophorum		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 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	Klebsiella Pneumoniae		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Lactobacillus Acidophilus		clinical exudates	Julak et al. 2003
Bacteria	Microbacterium Oxydans	n/a		Gu et al., 2007
Bacteria	Nocardia Sp.		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Anaerobicus		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 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	Serratia Marcescens	n/a		Gu et al., 2007
Bacteria	Stenotrophomonas Maltophilia	n/a		Gu et al., 2007
Bacteria	Streptomyces Lateritius	n/a		Gu et al., 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Escherichia Coli	VF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)	HS-SPME/GC-MS
Bacteria	Klebsiella Pneumoniae	VF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)	HS-SPME/GC-MS
Bacteria	Pseudomonas Flureorescens SBW25	Kings B + rif,+kann; PDA	GC-Q-TOF-MS	no
Bacteria	Staphylococcus Sp.	n/a	n/a
Fungi	Penicillium Camemberti			no
Fungi	Penicillium Caseifulvum			no
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Bacteria	Acinetobacter Baumanii	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	Bacillus Simplex	n/a	n/a
Bacteria	Bacillus Subtilis	n/a	n/a
Bacteria	Bacillus Weihenstephanensis	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	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 Cadaverum	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	Clostridium Tertium	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Escherichia Coli	peptone, casein, yeast extract, glucose	GC-FID FSOT NUKOL	no
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	n/a	n/a
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	Klebsiella Pneumoniae	peptone, casein, yeast extract, glucose	GC-FID FSOT NUKOL	no
Bacteria	Lactobacillus Acidophilus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Microbacterium Oxydans	n/a	n/a
Bacteria	Nocardia Sp.	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	Porphyromonas Gingivalis	n/a	n/a
Bacteria	Porphyromonas Gingivalis FDC381	n/a	n/a
Bacteria	Porphyromonas Gingivalis W83	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	Serratia Marcescens	n/a	n/a
Bacteria	Stenotrophomonas Maltophilia	n/a	n/a
Bacteria	Streptomyces Lateritius	n/a	n/a

Methylsulfanylmethane

Mass-Spectra

Compound Details

Synonymous names

METHYLSULFANYLMETHANE

Methanethiomethane

Dimethylsulphide

Methylthiomethane

dimethylsulfane

Dimethylsulfid

dimethylsulfide

Methylsulphide

Methylthiomethyl radical

Thiobismethane

(Methylthiomethylidyne)radical

methylsulfide

Dimethyl monosulfide

Thiopropane

dimethyl sulphide

Dimethyl thioether

Methyl monosulfide

QMMFVYPAHWMCMS-UHFFFAOYSA-N

reduced dimethyl sulfoxide

dimethyl sulfide

Methyl sulphide

Methyl thioether

Thiobis-methane

(Methylsulfanyl)methane

Methyl sulfide

REDUCED-DMSO

(methylthio)methane

Dimethyl sulfide, analytical standard

Dimethyl sulfoxide(Reduced)

Sulfure de methyle

(Methylsulfanyl)methane #

2-Thiapropane

2-Thiopropane

AC1L1ANN

Exact-S

Thiobis(methane)

ACMC-1BBLH

C2H6S

Dimethylsulfid [Czech]

Nat. Dimethyl Sulfide

Dimethyl sulfide (natural)

Methane, thiobis-

QS3J7O7L3U

KSC377G0P

Sulfide, methyl-

6873AF

CHEMBL15580

Dimethyl sulfide, >=99%

UN1164

UNII-QS3J7O7L3U

CTK2H7307

Dimethyl sulfide, 98%

HMDB02303

HSDB 356

M0431

[SMe2]

RP18263

Sulfure de methyle [French]

C00580

LTBB002388

(CH3)2S

DTXSID9026398

LS-2960

methyl sulphide, dimethyl sulphide, exact-S, thiobismethane

OR000121

OR337379

STL481894

UN 1164

A838342

CHEBI:17437

AN-23841

ANW-36574

KB-76628

SC-26847

Dimethyl sulfide, >=99%, FCC

MFCD00008562

AI3-25274

RTR-024212

TR-024212

AKOS009031411

I09-0087

Q-100810

BRN 1696847

Dimethyl sulfide, anhydrous, >=99.0%

FEMA No. 2746

FT-0603084

Methane, 1,1'-thiobis-

75-18-3

Dimethyl sulfide, 99% 250ml

MCULE-4525381422

Dimethyl sulfide, redistilled, >=99%, FCC, FG

EINECS 200-846-2

31533-72-9

Dimethyl sulfide [UN1164] [Flammable liquid]

Dimethyl sulfide, >=95.0% (GC)

Dimethyl sulfide, natural, >=99%, FCC, FG

MolPort-003-928-951

Dimethyl sulfide [UN1164] [Flammable liquid]

13741-EP2269977A2

13741-EP2277865A1

13741-EP2280006A1

13741-EP2284171A1

13741-EP2287153A1

13741-EP2298767A1

13741-EP2305656A1

13741-EP2308851A1

13741-EP2308873A1

13741-EP2311820A1

13741-EP2314576A1

13741-EP2314587A1

13741-EP2316836A1

13838-EP2292595A1

13838-EP2295409A1

13838-EP2295426A1

13838-EP2295427A1

13838-EP2295437A1

13838-EP2298775A1

13838-EP2311820A1

13838-EP2316836A1

18767-EP2270003A1

18767-EP2272832A1

18767-EP2277848A1

18767-EP2292576A2

18767-EP2292597A1

18767-EP2301933A1

18767-EP2305672A1

18767-EP2308510A1

18767-EP2308838A1

18767-EP2308877A1

18767-EP2311827A1

18767-EP2314576A1

18767-EP2314587A1

47704-EP2280006A1

47704-EP2311811A1

80926-EP2295426A1

80926-EP2295427A1

80926-EP2305687A1

Dimethyl sulfide, puriss., >=99.0% (GC)

InChI=1/C2H6S/c1-3-2/h1-2H

4-01-00-01275 (Beilstein Handbook Reference)

IUPAC name

methylsulfanylmethane

SMILES

CSC

Inchi

InChI=1S/C2H6S/c1-3-2/h1-2H3

Formula

C₂H₆S

PubChem ID

1068

Molweight

62.13

LogP

1.22

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 sulfide has been measured as 1.61X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl sulfide 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 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 3 days(SRC). Dimethyl sulfides's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of dimethyl sulfide from dry soil surfaces may exist(SRC) based upon a vapor pressure of 502 mm Hg(3).
Literature: (1) Gaffney, JS et al; Env Sci Tech 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. Vol 4. Design Inst Phys Prop Data, Amer Inst Chem Eng, NY, NY: Hemisphere Pub Corp (1989)

Soil Adsorption

The Koc of dimethyl sulfide is estimated as 6.3(SRC), using a water solubility of 22,000 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dimethyl sulfide is expected to have very high mobility in soil.
Literature: (1) Suzuki T; J Comp-Aided Molec Des 5: 149-66 (1991) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm as of Oct 1, 2009. (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Air-dried, unsterilized moist, and sterilized moist soils exposed to air initially containing 500 ppm dimethyl sulfide adsorbed an avg of 32, 308, and 10 ug dimethyl sulfide/g soil, respectively, in 15 days(1). Time required for complete sorption of dimethyl sulfide by moist soil from air initially containing 100 ppm dimethyl sulfide: soil 1 (Weller) - 1st exposure 150 min, 2nd exposure 100 min, 3rd exposure 95 min; soil 2 (Harps) - 1st exposure 45 min, 2nd exposure 24 min, 3rd exposure 19 min(1). These data suggest that moist soils have a greater tendency to adsorb dimethyl sulfide than dry soils, and that microbial activity in moist soils may be responsible for greater adsorption(1). When natural gas containing 0.5 pounds of dimethyl sulfide per million cubic feet of gas was passed through a bed of pulverized, dry, montmorillonite clay, dimethyl sulfide exhibited a fast breakthrough (2 hours) and a fast build-up rate in effluent gas (85% of influent concn 4 hours after breakthrough), suggesting that dimethyl sulfide does not adsorb to dry soils(2).
Literature: (1) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976) (2) Williams RP; Oper Sect Proc - Am Gas Assoc pp. T29-T37 (1976)

Vapor Pressure

Pressure	Reference
502 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 8026

MS-MS Spectrum 6344 - EI-B (HITACHI M-80) Positive

MS-MS Spectrum 8024

MS-MS Spectrum 14697

MS-MS Spectrum 14696

MS-MS Spectrum 6343 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 6345 - EI-B (HITACHI M-80B) Positive

1D-NMR-Links

1D NMR Spectrum 1871 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Burkholderia Ambifaria LMG 17828	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al., 2013
Bacteria	Burkholderia Ambifaria LMG 19182	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al., 2013
Bacteria	Burkholderia Ambifaria LMG 19467	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al., 2013
Bacteria	Alcaligenes Faecalis	n/a		Schulz and Dickschat, 2007
Bacteria	Alpha Proteobacteria Group	n/a		Schulz and Dickschat, 2007
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Collimonas Fungivorans Ter331	n/a		Garbeva et al., 2013
Bacteria	Collimonas Pratensis Ter91	n/a		Garbeva et al., 2013
Bacteria	Desulfovibrio Acrylicus	n/a		Schulz and Dickschat, 2007
Bacteria	Gamma Proteobacteria	n/a		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Lactococcus Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Paenibacillus Sp. P4	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Parasporobacterium Paucivorans	n/a		Schulz and Dickschat, 2007
Bacteria	Pedobacter Sp. V48	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Pseudomonas Aeruginosa PA01	stimulates growth of Aspergillus fumigatus	na	Briard et al., 2016
Bacteria	Pseudomonas Flureorescens SBW25			Cheng et al. 2016
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	Serratia Plymuthica PRI-2C	na	maize rhizosphere, Netherlands	Garbeva et al., 2014
Bacteria	Serratia Sp. DM1	the results led us to propose a possible new direct long-distance mechanism of action for WT antagonistic F. oxysporum that is mediated by vocs		Minerdi et al., 2009
Fungi	Fusarium Sp.			Brock et al. 2011
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Sp.			Larsen 1998
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 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	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	Mycobacterium Bovis	n/a		MCNerney et al., 2012
Bacteria	Pseudomonas Putida KT 2442	na	na	Schoeller et al., 1997
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 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	Clostridium Difficile R002	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R013	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R014/R020	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R026	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R027	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R076	na	na	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R087	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Enterobacter Agglomerans			Robacker and Lauzon 2002
Bacteria	Pseudomonas Aeruginosa		clinic	Preti., 2009
Fungi	Aspergillus Versicolor			Schleibinger et al.,2005
Fungi	Chaetomium Globosum			Schleibinger et al.,2005
Fungi	Eurotium Amstelodami			Schleibinger et al.,2005
Fungi	Tuber Aestivum	n/a	Prof. Mattia 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 (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Prof. Mattia Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Magnatum	n/a	Prof. Mattia Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Prof. Mattia Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Mesentericum	n/a	Prof. Mattia Bentivenga (UniversitÃƒÂ 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	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 Ambifaria LMG 19467	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Alcaligenes Faecalis	n/a	n/a
Bacteria	Alpha Proteobacteria Group	n/a	n/a
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Clostridium Sp.	n/a	n/a
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	Desulfovibrio Acrylicus	n/a	n/a
Bacteria	Gamma Proteobacteria	n/a	n/a
Bacteria	Lactobacillus Sp.	n/a	n/a
Bacteria	Lactococcus Sp.	n/a	n/a
Bacteria	Paenibacillus Sp. P4	sand containing artificial root exudates	GC/MS	No
Bacteria	Parasporobacterium Paucivorans	n/a	n/a
Bacteria	Pedobacter Sp. V48	sand containing artificial root exudates	GC/MS	No
Bacteria	Pseudomonas Aeruginosa PA01	minimal medium/ Brian medium	SPME-GC/MS	No
Bacteria	Pseudomonas Flureorescens SBW25	Kings B + rif,+kann; PDA	GC-Q-TOF-MS	no
Bacteria	Pseudonocardia Thermophila DSM 43832	Nutrient agar CM3	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	Serratia Plymuthica PRI-2C	sand containing artificial root exudates	GC/MS	No
Bacteria	Serratia Sp. DM1	LB medium	SPME/GC-MS
Fungi	Fusarium Sp.			no
Fungi	Penicillium Commune Pitt	MEA	GC/MS
Fungi	Penicillium Sp.			no
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 Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-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	Mycobacterium Bovis	Loewenstein-Jensen media	Headspace analyze / SIFT-MS and TD-GC-MS.
Bacteria	Pseudomonas Putida KT 2442	AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid	GC-FID,GC/MS
Fungi	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)
Bacteria	Clostridium Difficile R002	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R013	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R014/R020	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R026	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R027	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R076	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R087	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Enterobacter Agglomerans			no
Bacteria	Pseudomonas Aeruginosa	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
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	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 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)
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)

3-methylbutan-1-ol

Mass-Spectra

Compound Details

Synonymous names

Isobutylcarbinol

isopentylalcohol

Isopentylalkohol

ISOAMYLALCOHOL

Isopentanol

Alcool isoamylique

Fuseloel

Isoamylol

Isobutyl carbinol

Isopentyl alcohol

PHTQWCKDNZKARW-UHFFFAOYSA-N

Amylowy alkohol

Fermentation amyl alcohol

Iso-amylalkohol

Isoamyl alcohol

Isoamyl alkohol

isoamyl-alcohol

Alcool amilico

Primary isoamyl alcohol

3-methylbutanoI

3-Methylbutanol

Fusel Oil

AC1Q7CHF

Iso-amyl alcohol

potato-spirit oil

ACMC-1ADLL

Huile de fusel

i-Amyl Alcohol

Isoamyl alcohol, primary

3-Methylbutanol, analytical standard

DEM9NIT1J4

3-methyl butanol

3-methyl-Butanol

3-Metil-butanolo

AC1L1L9D

AC1Q1PG0

ISOAMYL ALCOHOL, ACS

Alcool isoamylique [French]

isopentan-1-ol

UNII-DEM9NIT1J4

Alcool amilico [Italian]

Amylowy alkohol [Polish]

Iso-amylalkohol [German]

Isoamyl alcohol (natural)

KSC175S7D

1-Hydroxy-3-Methylbutane

7340AF

Isoamyl alkohol [Czech]

NATURAL ISOAMYL ALCOHOL - TECHNICAL GRADE

NSC1029

NSC7905

CTK0H5971

HMDB06007

HSDB 605

I0289

Isoamyl alcohol (primary and secondary)

NATURAL ISOAMYL ALCOHOL P & F

QSPL 002

3-methylbutane-1-ol

CHEMBL372396

DB02296

Isopentyl alcohol (8CI)

2-Methyl-4-butanol

3-methyl 1-butanol

3-Methyl-1-butanol

3-Methylbutan-1-ol

C07328

CCRIS 8806

ZINC896830

DTXSID3025469

FEMA Number 2057

Jsp001579

LP092178

LS-2837

NSC 1029

NSC-1029

NSC-7905

OR034211

OR210114

STL282718

UNII-2NK7O363Q6 component PHTQWCKDNZKARW-UHFFFAOYSA-N

ZB015111

3-Metil-butanolo [Italian]

Butanol, 3-methyl-

CHEBI:15837

DSSTox_CID_5469

3-Methyl-1-butanol, analytical standard

AN-22920

ANW-18132

DSSTox_GSID_25469

Isoamyl alcohol (3-methyl butanol)

KB-70935

3-Methyl-Butan-1-Ol

DSSTox_RID_77799

LMFA05000108

Magnesium bis(3-methylbutan-1-olate)

Methyl-3-butan-1-ol

MFCD00002934

ZINC00896830

AI3-15288

Isoamyl alcohol, >=98%, FG

RTR-003692

TR-003692

3-METHYL-1-BUTANOL, REAG

AKOS000118739

FEMA No. 2057

FT-0616032

TRA-0206228

1-Butanol, 3-methyl-

3-Methyl-1-butanol, mixture of isomers

Butan-1-ol, 3-methyl

I14-14690

Z955123582

Isoamyl alcohol, natural, >=98%, FG

Tox21_302359

WLN: Q2Y1 & 1

123-51-3

F0001-0367

3-Methyl-1-butanol, 98%

3-METHYL-BUTAN-(1)-OL

6423-06-9

MCULE-7411270401

NCGC00255329-01

CAS-123-51-3

EINECS 204-633-5

EINECS 229-179-5

3-Methyl-1-butanol, anhydrous, >=99%

3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard

3-Methyl-1-butanol, technical grade, 95%

3-Methylbutanol, BioReagent, for molecular biology, >=98.5%

1973-EP2281899A2

1973-EP2316937A1

3-Methyl-1-butanol, LR, >=98%

3-Methyl-1-butanol, reagent grade, 98%

MolPort-001-793-103

123-51-3 (Parent)

74374-EP2269986A1

74374-EP2308857A1

74374-EP2380568A1

3-Methyl-1-butanol, biotech. grade, >=99%

3-Methyl-1-butanol, ReagentPlus(R), >=99%

117932-EP2287147A2

117932-EP2298768A1

6423-06-9 (magnesium salt)

3-Methyl-1-butanol, ACS reagent, >=98.5%

3-Methyl-1-butanol, JIS special grade, >=98.0%

3-Methyl-1-butanol, SAJ first grade, >=96.0%

3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC)

3-Methyl-1-butanol, p.a., 99.8%

3-Methyl-1-butanol, ACS, 98.5% min. 500ml

3-Methylbutanol, puriss. p.a., ACS reagent, >=98.5% (GC)

3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%

InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H

IUPAC name

3-methylbutan-1-ol

SMILES

CC(C)CCO

Inchi

InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

Formula

(CH₃)₂CHCH₂CH₂OH

PubChem ID

31260

Molweight

88.15

LogP

1.09

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols Alcohol

mVOC Specific Details

Volatilization

The Henry's Law constant for isopentanol is 1.41X10-5 atm-cu m/mol(1). Using this value for the Henry's Law constant, one can estimate that the volatilization half-life of isopentanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 2.55 days(2). Similarly, the half-life of isopentanol in a model lake 1 m deep with a 0.05 m/s current and a 0.5 m/s wind is 21 days(2). In view of isopentanol's relatively high vapor pressure, 2.37 mm Hg at 25 deg C(3) and moderate Henry's Law constant and low adsorptivity to soil, isopentanol would be expected to volatilize from dry and moist soil(SRC).
Literature: (1) Butler JAV et al; J Chem Soc 1935: 280-5 (1935) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 15 (1982) (3) Riddick JA et al; Organic Solvents 4th ed; pp. 221-2 NY: Wiley (1986)

Soil Adsorption

The Koc for isopentanol estimated from its water solubility, 26.7 mg/L(1), using recommended regression equations are 720(2) and 679(4). However, the chemicals used in developing these equations were mainly pesticides and their structures are not similar to isopentanol. The Koc for isopentanol estimated from molecular structure is 4(3). This should be a reasonable estimate for the Koc because it is close to the experimental value for the structurally similar chemical, 1-pentanol, 1.6(6). According to a suggested classification scheme(5), the estimated Kocs based on molecular structure suggests that isopentanol is very highly mobile in soil(SRC).
Literature: (1) Riddick JA et al; Organic Solvents 4th ed; pp. 211-2 NY: Wiley (1986) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 4 (1982) (3) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (4) Wauchope RD et al; Rev Environ Contam Toxicol 123: 1-155 (1991) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Gerstl Z, Helling CS; J Environ Sci Health B22: 55-69 (1987)

Vapor Pressure

Pressure	Reference
2.37 mm Hg @ 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., p. 211

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	Chryseobacterium Sp. AD48	na	na	Tyc et al., 2015
Bacteria	Legionella Pneumophila	could serve as potential biomarkers to distinguish between viruses and bacteria		Qader et al., 2015
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011
Fungi	Muscodor Albus CZ-621		rye grains	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	Trichoderma Atroviride	n/a		Crutcher et al., 2013
Fungi	Trichoderma Virens	n/a		Crutcher et al., 2013
Bacteria	Arthrobacter Agilis UMCV2	na	rhizosphere of maize plants	VelÃ¡zquez-Becerra et al.,2011
Fungi	Aspergillus Flavus	n/a		Stotzky and Schenk, 1976
Fungi	Boletus Variegatus	n/a		Stotzky and Schenk, 1976
Fungi	Neurospora Sitophila ATCC 46892	n/a		Pastore et al.,1994
Fungi	Neurospora Sp.	n/a		Pastore et al.,1994
Bacteria	Bacillus Cereus B-569	n/a		Blom et al., 2011
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 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 Kururiensis LMG 19447	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 Sacchari LMG 19450	n/a		Blom et al., 2011
Bacteria	Burkholderia Sordidicola LMG 22029	n/a		Blom et al., 2011
Bacteria	Burkholderia Terricola LMG 20594	n/a		Blom et al., 2011
Bacteria	Burkholderia Thailandensis LMG 20219	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	Cellulomonas Uda	n/a		Blom et al., 2011
Bacteria	Chromobacterium Violaceum CV0	n/a		Blom et al., 2011
Bacteria	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Cupriavidus Necator LMG 1199	n/a		Blom et al., 2011
Bacteria	Enterobacter Agglomerans		Amherst collection	Epsky et al. 1998
Bacteria	Enterobacter Cloacae	n/a		Arnold and Senter, 1998
Bacteria	Enterobacter Cloacae SM 639	na	ubiquitary,intestinal	Schoeller et al., 1997
Bacteria	Escherichia Coli	n/a		Tait et al., 2014
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	Escherichia Coli OP50	n/a		Blom et al., 2011
Bacteria	Haemophilus Influenzae		humans, respiratory infections	Abd El Qader et al. 2015
Bacteria	Klebsiella Pneumoniae	n/a		Tait et al., 2014
Bacteria	Klebsiella Pneumoniae ATCC 13883			Rees et al. 2017
Bacteria	L Isteria Monocytogenes	n/a		Arnold and Senter, 1998
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	Legionella Pneumophila		humans, respiratory infections	Abd El Qader et al. 2015
Bacteria	Limnobacter Thiooxidans LMG 19593	n/a		Blom et al., 2011
Bacteria	Moraxella Catarrhalis		humans, respiratory infections	Abd El Qader et al. 2015
Bacteria	Mycobacterium Bovis	n/a		MCNerney et al., 2013
Bacteria	Pandoraea Norimbergensis LMG 18379	n/a		Blom et al., 2011
Bacteria	Pseudomonas Aeruginosa	n/a		Arnold and Senter, 1998
Bacteria	Pseudomonas Chlororaphis	n/a		Blom et al., 2011
Bacteria	Pseudomonas Fluorescens WCS 417r	n/a		Blom et al., 2011
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	Salmonella Enteritidis	n/a		Arnold and Senter, 1998
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 42M	n/a		Ercolini et al., 2009
Bacteria	Serratia Proteamaculans B5a	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	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	n/a		Blom et al., 2011
Bacteria	Streptomyces Albidoflavus AMI 246	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 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 Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Thermomonospora Fusca DSM 43792	na	soil	Wilkins, 1996
Fungi	Armillaria Mellea	n/a		Mueller et al., 2013
Fungi	Aspergillus Candidus		compost	Fischer et al. 2052
Fungi	Aspergillus Fumigatus		compost	Fischer et al. 2052
Fungi	Aspergillus Fumigatus Strain FGSC A1163			Heddergott et al. 2014
Fungi	Aspergillus Ornatus	n/a		Meruva et al., 2004
Fungi	Aspergillus Versicolor			Schleibinger et al.,2005
Fungi	Aspergillus Versicolor Tiraboschi	na	damp indoor environments, food products	Sunesson et al., 1995
Fungi	Aspergillus Vesicolor		compost	Fischer et al. 2052
Fungi	Aureobasidium Pullulans FN868849	attracts wasps	isolated from apples (with lepidopteran orchard pests)	Davis et al., 2012
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Fungi	Chaetomium Globosum			Schleibinger et al.,2005
Fungi	Emericella Nidulans		compost	Fischer et al. 2052
Fungi	Eurotium Amstelodami			Schleibinger et al.,2005
Fungi	Fusarium Sp			Pierce et al. 1991
Fungi	Hansenula Holstii		whole beetles, beetle guts, loblolly pine	Brand et al. 1977
Fungi	Laccaria Bicolor	n/a		Mueller et al., 2013
Fungi	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al 1991
Fungi	Paecilomyces Variotii		compost	Fischer et al. 2052
Fungi	Paecilomyces Variotii Bain	na	compost, soils, food products	Sunesson et al., 1995
Fungi	Paxillus Involutus MAJ	n/a		Mueller et al., 2013
Fungi	Paxillus Involutus NAU	n/a		Mueller et al., 2013
Fungi	Pencillium Chrysogenum	None	None	Meruva et al., 2004
Fungi	Penicillium Aurantiogriseum	n/a		Boerjesson et al., 1990
Fungi	Penicillium Brevicompactum			Schleibinger et al.,2005
Fungi	Penicillium Chrysogenum	n/a		Meruva et al., 2004
Fungi	Penicillium Clavigerum		compost	Fischer et al. 2052
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Corymbiferum			Pierce et al. 1991
Fungi	Penicillium Crustosum		compost	Fischer et al. 2052
Fungi	Penicillium Glabrum		compost	Fischer et al. 2052
Fungi	Penicillium Sp.	n/a		Bjurman et al., 1997
Fungi	Phialophora Fastigiata Conant	na	na	Sunesson et al., 1995
Fungi	Pholiota Squarrosa	n/a		Mueller et al., 2013
Fungi	Rhizopus Stolonifer	n/a		Meruva et al., 2004
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Saccharomyces Cerevisiae CR1	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Fungi	Scolulariopsis Brevicaulis			Pierce et al. 1991
Fungi	Stropharia Rugosoannulata	n/a		Mueller et al., 2013
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Trichoderma Viride	n/a		Mueller et al., 2013
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 Borchii	n/a		Splivallo et al., 2007
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	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	Verticillium Longisporum	n/a		Mueller et al., 2013
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	Ampelomyces Sp. F-a-3	na	na	Naznin et al., 2014
Fungi	Phoma Sp. GS8-3	na	na	Naznin et al., 2014
Fungi	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2014
Bacteria	Actinomycetes Spp.	Is an attractant of the Caribbean fruit fly Anastrepha suspensa.		Schulz and Dickschat, 2007
Bacteria	Proteus Hauseri JN092591	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Bacillus Amyloliquefaciens UCMB5113	na	na	Asari et al., 2016
Bacteria	Lactobacillus Rhamnosus LSL 212	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Serratia Odorifera DSM 4582	n/a		Weise et al., 2014
Bacteria	Serratia Proteamaculans 568	n/a		Weise et al., 2014
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
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
Bacteria	Proteus Vulgaris Sp.	na	na	Su et al., 2016
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	na	na	Su et al., 2016
Bacteria	Pseudomonas Putida BP25	na	black pepper root	Sheoran et al., 2015
Bacteria	Pseudomonas Putida BP25R	positive influence of the plant root growth and protection against soil-borne pathogens		Sheoran et al., 2015
Fungi	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Coagulase-negative Staphylococci	n/a		Hettinga et al., 2008
Bacteria	Escherichia Coli		milk of cows	Hettinga et al 2010
Bacteria	Serratia Proteamaculans 94	na	spoiled meat	Popova et al., 2014
Bacteria	Streptococcus Dysgalactiae	n/a		Hettinga et al., 2008
Fungi	Chalaropsis Thielaviodes			Collins 1961
Fungi	Trichoderma Viride			Hung et al., 2013

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	Chryseobacterium Sp. AD48	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Legionella Pneumophila	blood culture	SPME/GC-MS	No
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-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 Albus CZ-621		Headspace sampler/GC-MS	Yes
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	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS
Bacteria	Arthrobacter Agilis UMCV2	LB medium	SPME-GC/MS	No
Fungi	Aspergillus Flavus	n/a	n/a
Fungi	Boletus Variegatus	n/a	n/a
Fungi	Neurospora Sitophila ATCC 46892	Malt extract	Headspace/gas chromatography
Fungi	Neurospora Sp.	Malt extract	Headspace/gas chromatography
Bacteria	Bacillus Cereus B-569	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 Andropogonis LMG 2129	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 Anthina LMG 20980	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 Caledonica LMG 19076	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 Caryophylli LMG 2155	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 Cepacia LMG 1222	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 Cepacia LMG 1222 358	LB and 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 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 Glathei LMG 14190	MR-VP	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	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 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 Kururiensis LMG 19447	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	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 6993	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 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, 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 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, 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 Sacchari LMG 19450	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 Sordidicola LMG 22029	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 Thailandensis LMG 20219	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, 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	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	Cellulomonas Uda	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	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	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Cupriavidus Necator LMG 1199	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Enterobacter Agglomerans	TSA	capillary GC	no
Bacteria	Enterobacter Cloacae		HS-SPME/GC-MS
Bacteria	Enterobacter Cloacae SM 639	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Escherichia Coli	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column
Bacteria	Escherichia Coli ATCC15547	TS broth	GC-MS Super Q	no
Bacteria	Escherichia Coli OP50	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	Haemophilus Influenzae	blood culture medium	SPME-GC-MS	no
Bacteria	Klebsiella Pneumoniae	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column
Bacteria	Klebsiella Pneumoniae ATCC 13883	LB	SPME / GCxGC-TOFMS	no
Bacteria	L Isteria Monocytogenes		HS-SPME/GC-MS
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	Legionella Pneumophila	blood culture medium	SPME-GC-MS	no
Bacteria	Limnobacter Thiooxidans LMG 19593	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	Moraxella Catarrhalis	blood culture medium	SPME-GC-MS	no
Bacteria	Mycobacterium Bovis	Loewenstein-Jensen media	Headspace analyze / SIFT-MS and TD-GC-MS.
Bacteria	Pandoraea Norimbergensis LMG 18379	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		HS-SPME/GC-MS
Bacteria	Pseudomonas Chlororaphis	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 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 Perolens ATCC 10757	Trypticase soil agar (BBL)	GC/MS
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	Salmonella Enteritidis		HS-SPME/GC-MS
Bacteria	Serratia Entomophilia A1MO2	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	Serratia Marcescens MG1	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	Serratia Plymuthica HRO-C48	LB, 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	Serratia Plymuthica IC14	LB, 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	Serratia Proteamaculans 42M	n/a	n/a
Bacteria	Serratia Proteamaculans B5a	LB, 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 and non-polar GC Column
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Staphylococcus Sciuri	869 liquid medium	SPME-GC/MS
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	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	Streptomyces Albidoflavus AMI 246	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 13387	n/a	n/a
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a	n/a
Bacteria	Streptomyces Coelicolor ATCC 21666	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 Thermoviolaceus CBS 111.62	n/a	n/a
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Fungi	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aspergillus Fumigatus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aspergillus Fumigatus Strain FGSC A1163	Brian`s broth, AMM, RPMI 1658	SPME / GC-MS
Fungi	Aspergillus Ornatus	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Aspergillus Versicolor	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Aspergillus Versicolor Tiraboschi	DG18	GC/MS
Fungi	Aspergillus Vesicolor	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aureobasidium Pullulans FN868849	Sabouraud Dextrose Agar	GC/FID	Yes
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Fungi	Chaetomium Globosum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Fungi	Eurotium Amstelodami	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Fusarium Sp		GC-FID	yes
Fungi	Hansenula Holstii	PYG	GC-MS	no
Fungi	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
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	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	Pencillium Chrysogenum	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.	Yes
Fungi	Penicillium Aurantiogriseum	n/a	n/a
Fungi	Penicillium Brevicompactum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Penicillium Chrysogenum	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Commune Pitt	DG18,MEA	GC/MS
Fungi	Penicillium Corymbiferum		GC-FID	yes
Fungi	Penicillium Crustosum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Glabrum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Sp.	n/a	n/a
Fungi	Phialophora Fastigiata Conant	DG18	GC/MS
Fungi	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Rhizopus Stolonifer	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Saccharomyces Cerevisiae CR1	YEPDA	GC/MS	no
Fungi	Scolulariopsis Brevicaulis		GC-FID	yes
Fungi	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Trichodema Pseudokoningii	Malt extract/Low medium	GC/MS
Fungi	Trichodema Viride	Low medium	GC/MS
Fungi	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Borchii	n/a	n/a
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	Gas chromatography-olfactometry (GC-O)
Fungi	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Xylaria Sp.	PDA medium	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
Fungi	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Proteus Hauseri JN092591	LB liquid	SPME-GC/MS
Bacteria	Bacillus Amyloliquefaciens UCMB5113	na	GC/MS	No
Bacteria	Lactobacillus Rhamnosus LSL 212	curd-based broth medium	GC/MS	Yes
Bacteria	Serratia Odorifera DSM 4582	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Proteamaculans 568	NBII	Headspace trapping/ GC-MS
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
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
Bacteria	Proteus Vulgaris Sp.	LB medium	SPME-GC/MS	No
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	LB medium	SPME-GC/MS	No
Bacteria	Pseudomonas Putida BP25	Luria Bertani Agar	Headspace GC/MS	No
Bacteria	Pseudomonas Putida BP25R	TSB	Propak Q adsorbent trap/GC-MS
Fungi	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Coagulase-negative Staphylococci	Milk	HS-SPME/GC-MS
Bacteria	Escherichia Coli		GCMS DSQ	no
Bacteria	Serratia Proteamaculans 94	LB medium	SPME-GC/MS	No
Bacteria	Streptococcus Dysgalactiae	Milk	HS-SPME/GC-MS
Fungi	Chalaropsis Thielaviodes			no
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes

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

Ethene

Mass-Spectra

Compound Details

Synonymous names

Bicarburretted hydrogen

Ethyleneradical

methylenecarbonyl group

POLYETHYLENE

Plastipore

Aethylen

Alkathene

Ambythene

ETHYLENE

Ethylene polymers

SNVLJLYUUXKWOJ-UHFFFAOYSA-N

VGGSQFUCUMXWEO-UHFFFAOYSA-N

Acetene

Aethen

Athylen

Ethene

Etherin

Ethylen

Ethylene polymer

Etileno

Liquid ethylene

methylene carbon

Polyethylene as

Bakelite DYNH

Elayl

Grex

Hizex

Liquid ethyene

Carlona PXB

Ethylene, compressed

Olefiant gas

Bicolene C

Epolene C

Epolene E

Epolene N

Polyethylene, medium density

Aldyl A

Bulen A

Polyethylene granules, high density

BPE-I

CH2=CH2

Courlene-X3

Ethene, homopolymer, chlorinated, chlorosulfonated

Ethylene, pure

H2C=CH2

HI-Fax

poly(ethylene)

Polyethylene,chlorinated 140B

Alcowax 6

C2H4

AC1L1MA0

AC1O5DW5

Athylen [German]

OR1710

UN1038

UN1962

1,2-ethylene

CTK2H7852

Ethylene, refrigerated liquid (cryogenic liquid)

HSDB 168

Alathon 7140

Alathon 7511

Alithon 7050

Amoco 610A4

Bakelite DFD 330

CHEMBL117822

Ethylene (8CI)

91GW059KN7

Allied PE 617

Alphex FIT 221

Bakelite DHDA 4080

Bareco polywax 2000

C06547

C19503

Ethene (9CI)

DTXSID1026378

LS-2175

LS-2296

OR079736

OR079762

OR326652

OR336843

UN 1038

UN 1962

CHEBI:18153

ethan-1,2-diyl

R-1150

UNII-91GW059KN7

ACM2669898

AN-23824

CMC_13849

Ethylene, >=99.5%

Ethylene, >=99.9%

FCH1113777

Polyethylene as med Mol. Wt.

SC-46754

Bralen KB 2-11

Caswell No. 436

MFCD00084423

ZX-AT020153

Bareco wax C 7500

Polyethylene, low density, <=400 micron

AKOS015915514

EPA Pesticide Chemical Code 041901

Ethylene, 99.99%

FT-0626287

74-85-1

Ethylene, purum, >=99.9%

I14-54492

Polyethylene, low density, 1000 micron

I14-114237

9002-88-4

MCULE-9947181734

EINECS 200-815-3

33060-30-9

56453-76-0

87701-64-2

87701-65-3

MolPort-001-760-368

Ethylene, compressed [UN1962] [Flammable gas]

14736-EP2275408A1

14736-EP2284166A1

14736-EP2289483A1

14736-EP2289896A1

14736-EP2292608A1

14736-EP2295422A2

14736-EP2298749A1

14736-EP2316830A2

14736-EP2371806A1

14736-EP2371807A1

14736-EP2371823A1

14736-EP2377844A2

16123-EP2281563A1

16123-EP2308848A1

16123-EP2316459A1

38154-EP2272848A1

38154-EP2301927A1

38154-EP2311796A1

38154-EP2311797A1

38154-EP2311798A1

38154-EP2311799A1

38154-EP2374526A1

73866-EP2270101A1

73866-EP2289891A2

73866-EP2308926A1

Ethylene, Messer(R) CANGas, 99.98%

Ethylene, compressed [UN1962] [Flammable gas]

Polyethylene, UHMW, >150 micron, MW 3-6 million

Ethylene, puriss., >=99.95% (GC)

Ethylene, refrigerated liquid (cryogenic liquid) [UN1038] [Flammable gas]

Polyethylene rod, High Density, 16mm (0.63in) dia

Polyethylene rod, High Density, 19mm (0.75in) dia

Polyethylene rod, Low Density, 16mm (0.63in) dia

Polyethylene rod, Low Density, 19mm (0.75in) dia

Polyethylene sheet, High Density, 12.7mm (0.5in) thick

Polyethylene sheet, Low Density, 12.7mm (0.5in) thick

Polyethylene sheet, Low Density, 4.8mm (0.19in) thick

Ethylene, refrigerated liquid (cryogenic liquid) [UN1038] [Flammable gas]

Polyethylene rod, High Density, 12.7mm (0.5in) dia

Polyethylene rod, Low Density, 12.7mm (0.5in) dia

Polyethylene sheet, High Density, 1.6mm (0.063in) thick

Polyethylene sheet, High Density, 6.35mm (0.25in) thick

Polyethylene sheet, Low Density, 1.6mm (0.063in) thick

Polyethylene sheet, Low Density, 6.35mm (0.25in) thick

Polyethylene rod, High Density, 6.35mm (0.25in) dia

Polyethylene rod, Low Density, 6.35mm (0.25in) dia

Polyethylene sheet, High Density, 3.18mm (0.125in) thick

Polyethylene sheet, Low Density, 3.18mm (0.125in) thick

IUPAC name

ethene

SMILES

C=C

Inchi

InChI=1S/C2H4/c1-2/h1-2H2

Formula

C₂H₄

PubChem ID

6325

Molweight

28.054

LogP

1.11

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkenes

mVOC Specific Details

Volatilization

The Henry's Law constant for ethylene is 0.228 atm-cu m/mole(1). This Henry's Law constant indicates that ethylene 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 30 minutes(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 2 days(SRC). Ethylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Ethylene is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 5.21X10+4 mm Hg(3).
Literature: (1) Wasik SP, Tsang W; J Phys Chem 74: 2970-6 (1970) (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

The Koc of ethylene is estimated as 98(SRC), using a log Kow of 1.13(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ethylene is expected to have high 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. 4 (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
5.21X10+4 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

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Bacteria	Clostridium Sp.	n/a	Stotzky and Schenk, 1976
Bacteria	Pseudomonas Solanacearum	n/a	Stotzky and Schenk, 1976
Bacteria	Streptomyces Spp.	n/a	Stotzky and Schenk, 1976
Fungi	Aspergillus Clavatus	n/a	Stotzky and Schenk, 1976
Fungi	Blastomyces Dermatitidis	n/a	Stotzky and Schenk, 1976
Fungi	Ceratocystis Fimbriata	n/a	Stotzky and Schenk, 1976
Fungi	Mucor Hiemalis	n/a	Stotzky and Schenk, 1976
Fungi	Penicillium Digitatum	n/a	Stotzky and Schenk, 1976
Fungi	Tuber Borchii 43BO	Induce alterations in root morphology of the host Cistus incanus and the nonhost Arabidopsis (Arabidopsis thaliana ; i.e. primary root shortening, lateral root formation, root hair stimulation)	Splivallo et al., 2009
Fungi	Tuber Borchii ATCC 96540	Induce alterations in root morphology of the host Cistus incanus and the nonhost Arabidopsis (Arabidopsis thaliana ; i.e. primary root shortening, lateral root formation, root hair stimulation)	Splivallo et al., 2009
Fungi	Tuber Melanosporum	Induce alterations in root morphology of the host Cistus incanus and the nonhost Arabidopsis (Arabidopsis thaliana ; i.e. primary root shortening, lateral root formation, root hair stimulation)	Splivallo et al., 2009

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Pseudomonas Solanacearum	n/a	n/a
Bacteria	Streptomyces Spp.	n/a	n/a
Fungi	Aspergillus Clavatus	n/a	n/a
Fungi	Blastomyces Dermatitidis	n/a	n/a
Fungi	Ceratocystis Fimbriata	n/a	n/a
Fungi	Mucor Hiemalis	n/a	n/a
Fungi	Penicillium Digitatum	n/a	n/a
Fungi	Tuber Borchii 43BO	Malt extract agar	SPME-GC-MS
Fungi	Tuber Borchii ATCC 96540	Malt extract agar	SPME-GC-MS
Fungi	Tuber Melanosporum	Malt extract agar	SPME-GC-MS

Prop-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names

CALCIUMPOLYCARBOPHIL

Carboxypolymethylene resin

Ethylenecarboxylic acid

Polyacrylate elastomers

Polyacrylate

Acrylicacid

Calcium polyacrylate

Carbomerum

Propenoate

Acrylates

Carbomer

Carbomere

Carbomero

Carbopol

Kyselina akrylova

NIXOWILDQLNWCW-UHFFFAOYSA-N

Acide acrylique

Acrylic acid homopolymer

Acrylic polymer

Acrylic polymers

POLYACRYLIC ACID

Polymerized acrylic acid

Vinylformic acid

Acido acrilio

Acroleic acid

Acrylic resin

Aron

CH2=CHCOOH

Phytogel base

Propenoic acid

Propenoic acid polymer

ACRYLIC ACID

Carboxy vinyl polymer

Glacial acrylic acid

Propene acid

Synthalen K

XPA

2-Propenoicacid

Acrylic acid homopolymer calcium salt

Acrylic acid resin

Antiprex A

AC1L1MUM

ACMC-1CHHZ

Acrylic acid sodium salt

Acrylic acid, inhibited

Versicol E9

Acrylic acid, glacial

Acrylic acid, polymer

Acrylic acid, polymers

2-Propenoic acid

AC1Q2A9H

AC1Q71VY

AC1Q71VZ

prop-2-enoicacid

Versicol E15

Atactic poly(acrylic acid)

Dispex C40

J94PBK7X8S

2-Hydroxyethyl methacrylate vinyl acetate 2-ethylhexyl acrylate polymer

2-Propenoic acid, homopolymer

AC1Q71W0

Acide acrylique [French]

Acritamer 940

Acrysol A 1

Acrysol A 3

Acrysol A 5

Acrysol A-1

Acrysol AC 5

Carbomer 940

Carbopol 934p

Carbopol 940

Carbopol 960

Carboset 515

Kyselina akrylova [Czech]

R968

Revacryl A191

Versicol E 7

2-Propenic acid, homopolymer

7023AF

Acido acrilio [Spanish]

ACRYLIC ACID ;

Acrylic acid, low water content

Acrysol ase-75

Carbomere [INN-French]

Carbomero [INN-Spanish]

Carbomerum [INN-Latin]

Cyguard 266

Joncryl 678

Junlon 110

Jurimer AC 10H

Jurimer AC 10P

Nalfloc 636

NSC4765

OLD 01

P 11H

P-11H

PA 11M

PAA-25

PubChem21090

UN2218

UNII-9G2MAD7J6W

UNII-F68VH75CJC

UNII-J94PBK7X8S

Viscalex HV 30

Viscon 103

WS 24

2-Propenoic acid, block polymer with sulfonated ethenylbenzene

A0141

Acrysol WS-24

CCRIS 737

CTK1A2288

DSSTox_CID_28

Primal Ase 60

prop-2-enoic acid

Rohagit SD 15

Versicol K 11

Versicol S 25

Aron A 10H

Carbopol CV 940

DB02579

DB05384

RP18305

WLN: QV1U1

WS 801

A11196

C00511

C19501

D03392

D03393

D03394

D03395

D03396

D03397

Dow Latex 354

HSDB 1421

LTBB002138

RCRA waste number U008

Revacryl A 191

UNII-4Q93RCW27E

UNII-KD3S7H73D3

ZINC895281

AK163245

CHEMBL1213529

DR000102

DTXSID0039229

LS-1772

NSC 4765

NSC-4765

NSC106034

NSC106035

NSC106036

NSC106037

NSC112122

NSC112123

NSC114472

NSC165257

NSC226569

OR181227

OR249619

OR254740

OR254741

STL281870

A830860

CHEBI:18308

Good-rite K 37

2-Propenoic acid, homopolymer, calcium salt

AJ-24167

AN-19482

AN-36929

ANW-43674

C3:1n-1

Caswell No. 009A

DSSTox_GSID_39229

Good-rite WS 801

SC-46753

SC-46797

TRA0086478

DSSTox_RID_79425

Good-rite K 702

Good-rite K 732

LMFA01030193

MFCD00004367

MFCD00084394

MFCD00147949

Sodium polyacrylate, MW ~8000

Synthemul 90-588

AI3-15717

Carboset Resin No. 515

KB-174465

NSC-106034

NSC-106035

NSC-106036

NSC-106037

NSC-112122

NSC-112123

NSC-114472

NSC-165257

NSC-226569

RTR-025215

ST24045909

TR-025215

UNII-809Y72KV36

AKOS000118799

I04-0428

I04-1350

RCRA waste no. U008

Z57127944

BRN 0635743

Carbomer 934 (NF)

Carbomer 934P (NF)

Carbomer 940 (NF)

Carbomer 941 (NF)

Carbopol 910 (TN)

Carbopol 934 (TN)

Carbopol 934P (TN)

Carbopol 940 (TN)

Carbopol 941 (TN)

FT-0621875

UNII-K61870Z308

79-10-7

I14-92633

Carbomer 1342 (NF)

Carbomer 940 [USAN:NF]

Carbopol 1342 (TN)

Tox21_112372

F0001-2070

CAS-79-10-7

9003-01-4

9003-04-7

MCULE-9352227082

NCGC00166246-01

EINECS 201-177-9

11132-69-7

25987-55-7

29862-29-1

37241-23-9

39341-22-5

51142-25-7

54578-44-8

54990-82-8

55927-87-2

56747-65-0

59233-19-1

65742-16-7

71767-27-6

71767-28-7

76050-42-5

81031-52-9

82446-45-5

82446-46-6

87913-02-8

88650-89-9

ACRYLIC ACID, [1-14C]

UN 2218 (Salt/Mix)

Acrylic acid, p.a., 99%

101360-15-0

104625-85-6

104922-39-6

105913-47-1

125857-68-3

125857-69-4

131094-47-8

165724-08-3

168564-56-5

169799-28-4

170473-89-9

174594-09-3

230287-43-1

471251-42-0

746620-96-2

746620-98-4

1312-EP2270113A1

1312-EP2272935A1

1312-EP2275469A1

1312-EP2287940A1

1312-EP2289965A1

1312-EP2298753A1

1312-EP2305033A1

1312-EP2308857A1

1312-EP2308861A1

1312-EP2308865A1

1312-EP2308882A1

1312-EP2374784A1

1312-EP2374785A1

1313-EP2272537A2

1313-EP2289894A2

1313-EP2298743A1

1313-EP2308833A2

1313-EP2311840A1

1313-EP2371811A2

1313-EP2374787A1

2186-EP2277879A1

2186-EP2305636A1

2186-EP2311821A1

2186-EP2374787A1

3854-EP2270113A1

3854-EP2272849A1

3854-EP2272935A1

3854-EP2275414A1

3854-EP2275418A1

3854-EP2277565A2

3854-EP2277566A2

3854-EP2277567A1

3854-EP2277568A2

3854-EP2277569A2

3854-EP2277570A2

3854-EP2289879A1

3854-EP2292280A1

3854-EP2298753A1

3854-EP2302003A1

3854-EP2305219A1

3854-EP2305683A1

3854-EP2305684A1

3854-EP2308857A1

3854-EP2308858A1

3854-EP2309584A1

3854-EP2311816A1

3854-EP2311817A1

3854-EP2311831A1

3854-EP2311839A1

3854-EP2311840A1

3854-EP2314589A1

3854-EP2315303A1

3854-EP2316837A1

3854-EP2371803A1

3854-EP2372017A1

3854-EP2374538A1

3854-EP2374786A1

3854-EP2377842A1

3854-EP2377843A1

3854-EP2377847A1

Acrylic acid, 99%, stabilized 100g

MolPort-000-871-611

1265528-53-7

9003-04-7 (unspecified hydrochloride salt)

Acrylic acid, inhibited [UN2218] [Corrosive]

7446-81-3 (hydrochloride salt)

Poly(acrylic acid), 35 wt% soln. in water

9003-01-4 (Parent)

5698-98-6 (magnesium salt)

9003-03-6 (ammonium salt)

Block copolymer of sulfonated polystyrene and polyacrylic acid (MW 250,000)

5651-26-3 (silver salt)

Acrylic acid, inhibited [UN2218] [Corrosive]

10192-85-5 (potassium salt)

10604-69-0 (ammonium salt)

15743-20-1 (aluminum salt)

25987-55-7 (calcium salt)

Acrylic acid, anhydrous, contains 200 ppm MEHQ as inhibitor, 99%

14643-87-9 (zinc salt)

4-02-00-01455 (Beilstein Handbook Reference)

2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester, polymer with ethenyl acetate and 2-ethylhexyl 2-propenoate

58197-53-8 (cobalt(2+) salt)

6292-01-9 (calcium[2:1] salt)

51366-35-9 (calcium[2:1] salt.dihydrate)

55488-18-1 (iron(3+) salt)

Acrylic acid, SAJ first grade, >=97.0%, contains 190-210 ppm MEHQ as stabilizer

InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5

IUPAC name

prop-2-enoic acid

SMILES

C=CC(=O)O

Inchi

InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)

Formula

C₃H₄O₂

PubChem ID

6581

Molweight

72.063

LogP

0.53

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids Alkenes carboxylic acids

mVOC Specific Details

Volatilization

A pKa of 4.26(1) indicates acrylic 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). The potential for volatilization of acrylic acid from dry soil surfaces may exist(SRC) based upon a vapor pressure of 3.97 mm Hg(3).
Literature: (1) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification. Techniques of Chemistry. 4th ed. New York, NY: Wiley-Interscience (1986) (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 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 (1987)

Soil Adsorption

Koc values for acrylic acid have been reported as 6 in Washington clay/loam (29% sand, 42% silt, 29% clay, 3.39% organic carbon, pH 6.0), 9 in Canfield loam (45% sand, 42% silt, 13% clay, 4.58% organic carbon, pH 6.1), 29 in Ellsworth loam (35% sand, 40% silt, 25% clay, 1.42% organic carbon, pH 7.2), 137 in Tyner loamy sand (79% sand, 14% silt, 7% clay, 0.46% organic carbon, pH 5.2), and 33 in sandy loam sediment (53% sand, 28% silt, 19% clay, 1.23% organic carbon, pH 7.5)(1) According to a classification scheme(2), these Koc values suggest that acrylic acid is expected to have very high to high mobility in soil. The pKa of acrylic acid is 4.26(3), 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(4).
Literature: (1) Staples CA et al; Chemosphere 40: 29-38 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification. Techniques of Chemistry. 4th ed. New York, NY: Wiley-Interscience (1986) (4) 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
3.97 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 50290

MS-MS Spectrum 166638

MS-MS Spectrum 50289

MS-MS Spectrum 206154

MS-MS Spectrum 166639

MS-MS Spectrum 166640

MS-MS Spectrum 50291

MS-MS Spectrum 206153

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Tuber Aestivum	n/a	n/a
Bacteria	Clostridium Sp.	n/a	n/a

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

Pentanoic Acid

Mass-Spectra

Compound Details

Synonymous names

Butanecarboxylate

Valeriansaeure

Butanecarboxylic acid

Valeriansaure

Valerianate

VALERICACID

Kyselina valerova

NQPDZGIKBAWPEJ-UHFFFAOYSA-N

pentoate

Propylacetic acid

Valerate

Valerianic acid

1-Butanecarboxylate

PENTANOIC ACID

n-Pentanoate

pentoic acid

SHF

Valeric acid

1-Butanecarboxylic acid

n-Valerate

Pentanoic acid Valeric acid

Valeric acid normal

Valeric acid, pharmaceutical impurity standard

1-pentanoate

1ylv

n-BuCOOH

n-Pentanoic acid

n-Valeric acid

Valeric acid, analytical standard

GZK92PJM7B

1-pentanoic acid

AC1L1Q0L

Butane-1-carboxylic acid

Valeric acid, normal

n-C4H9COOH

SCHEMBL5886

UNII-GZK92PJM7B

GTPL1061

I841

KSC175S1B

Kyselina valerova [Czech]

ACMC-1B6Z8

C5:0

CTK0H5910

HMDB00892

WLN: QV4

CHEMBL268736

DB02406

Valeric acid, >=99%

bmse000345

C00803

HMS2267A03

HSDB 5390

Valeric acid, 99%

VALERIC ACID, N-

DTXSID7021655

LP066955

LS-3150

NSC406833

OR034483

OR282300

SBB053585

STL169350

BUTYL, 4-CARBOXY-

CHEBI:17418

DSSTox_CID_1655

AN-22558

ANW-16061

DSSTox_GSID_21655

KB-62217

SC-26694

TRA0071227

DSSTox_RID_76267

LMFA01010005

MFCD00004413

ZINC31500905

AI3-08657

NSC 406833

NSC-406833

RTR-002061

ST51046708

TR-002061

AKOS000118960

I04-1052

J-002298

Valeric acid ( Pentanoic acid )

BRN 0969454

FEMA No. 3101

FT-0651620

FT-0694066

FT-0695354

MLS001066335

SMR000471834

CH3-[CH2]3-COOH

Z955123768

Tox21_113414

Tox21_201561

Tox21_303030

109-52-4

F2191-0105

MCULE-2333640078

NCGC00183281-01

NCGC00183281-02

NCGC00256597-01

NCGC00259110-01

CAS-109-52-4

EINECS 203-677-2

Valeric acid, >=99%, FCC, FG

Valeric acid, 99% 100ml

12124-87-7

64118-37-2

MolPort-001-780-113

66993-EP2298772A1

66993-EP2305687A1

66993-EP2308839A1

66993-EP2374787A1

6106-41-8 (hydrochloride salt)

120630-EP2275401A1

120630-EP2284146A2

120630-EP2284147A2

120630-EP2298763A1

120630-EP2371805A1

556-38-7 (zinc salt)

19455-21-1 (potassium salt)

42739-38-8 (ammonium salt)

4-02-00-00868 (Beilstein Handbook Reference)

70268-41-6 (manganese(+2) salt)

InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7

IUPAC name

pentanoic acid

SMILES

CCCCC(=O)O

Inchi

InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)

Formula

C₅H₁₀O₂

PubChem ID

7991

Molweight

102.133

LogP

1.37

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Volatilization

The Henry's Law constant for n-pentanoic acid is 4.72X10-7 atm-cu m/mole(1). This Henry's Law constant indicates that n-pentanoic acid is expected to be essentially nonvolatile from water surfaces(2). Volatilization of the ionized form from water surfaces is not expected to be an important fate process(SRC). Pentanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.96X10-1 mm Hg(3).
Literature: (1) Khan I et al; J Atmos Chem 22:285-302 (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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)

Soil Adsorption

The Koc of n-pentanoic acid is estimated as 140(SRC), using a log Kow of 1.39(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-pentanoic acid is expected to have high mobility in soil. In aqueous solution, n-pentanoic acid adsorbed 15.4 and 37.9% onto the clay minerals kaolinite and montmorillonite, respectively, after 144 hours at 22 deg C(4). The pKa of n-pentanoic acid is 4.84(5), indicating that this compound will partially exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(6).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Stearic 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) (4) Hemphill L, Swanson WS; Sorption of Organic Acids by Pure Clay Minerals in Aqueous Solution, Proc of the 18th Industrial Waste Conf, Eng Bull Purdue U, Lafayette, IN 18: 204-17 (1964) (5) Dean JA; Handbook of Organic Chemistry; New York, NY: McGraw-Hill, Inc pp. 8-45 (1987) (6) 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
1.96X10-1 mm Hg at 25 deg C (est)	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 1254 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179390

MS-MS Spectrum 4791 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

MS-MS Spectrum 181718

MS-MS Spectrum 4788 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 1253 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179388

MS-MS Spectrum 1255 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 201714

MS-MS Spectrum 4789 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 181716

MS-MS Spectrum 181717

MS-MS Spectrum 179389

MS-MS Spectrum 4787 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 4790 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 4792 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative

MS-MS Spectrum 4786 - EI-B (HITACHI RMU-6M) Positive

1D-NMR-Links

1D NMR Spectrum 5046

1D NMR Spectrum 1586 - Varian 500 MHz 1H NMR

1D NMR Spectrum 5045

1D NMR Spectrum 2132 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 2819 - Varian 25.16 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees et al 2016
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Clostridium Sporogenes	n/a		Wiggins et al., 1985
Bacteria	Fusobacterium Necrophorum		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 Nucleatum ATCC 33568	n/a		Kurita-Ochiai et al., 1995
Bacteria	Fusobacterium Simiae		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 W83	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
Fungi	Candida Albicans		clinical exudates	Julak et al. 2003

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
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
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Clostridium Sporogenes	n/a	n/a
Bacteria	Fusobacterium Necrophorum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Fusobacterium Nucleatum	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	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 W83	n/a	n/a
Bacteria	Prevotella Loescheii	n/a	n/a
Bacteria	Prevotella Loescheii ATCC 15930	n/a	n/a
Fungi	Candida Albicans	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes

Hexanoic Acid

Mass-Spectra

Compound Details

Synonymous names

Pentanecarboxylic acid

pentylformate

capronate

FUZZWVXGSFPDMH-UHFFFAOYSA-N

hexylate

Kyselina kapronova

Pentylformic acid

1-pentanecarboxylate

Butylacetic acid

Pentiformic acid

Capronic acid

HEXANOIC ACID

Caproic acid

Hexoic acid

Hexylic acid

1-Pentanecarboxylic acid

5-carboxypentyl

hexansäure

n-caproate

n-hexoate

n-hexylate

AC1Q2VOK

Hexanoic acid Caproic acid

Hexanoic acid, analytical standard

Nat.Hexanoic Acid

1-hexanoate

ACMC-1BTHO

n-Caproic acid

n-Hexanoic acid

n-Hexylic acid

n-Hexoic acid

1-Hexanoic acid

AC1L1RW7

Acid C6

Pentane-1-carboxylic acid

Kyselina kapronova [Czech]

methyl 5-pentanoic acid

SCHEMBL3867

ethyl 4-butanoic acid

KSC177A6N

M557

CHEMBL14184

Hexacid 698

Hexanoic acid (natural)

NSC8266

UN2829

1F8SN134MX

BDBM16433

C6:0

CTK0H7066

HMDB00535

WLN: QV5

hexanoic acid (caproic acid)

Hexanoic acid, >=99%

RP19238

5-Carboxypentyl-Sepharose® 4B N-succinimidyl ester

bmse000351

C01585

CCRIS 1347

CH3(CH2)4COOH

Hexanoic acid, 99%

HSDB 6813

UNII-1F8SN134MX

AN-1410

DTXSID7021607

LP071647

LP097943

LS-2796

NSC 8266

NSC-8266

SBB053586

(C6-C12)Alkylcarboxylic acid

CHEBI:30776

DSSTox_CID_1607

Fatty Acid 1210

ZINC1529230

ANW-20709

DSSTox_GSID_21607

HEXANOIC ACID (CAPROIC ACID)

TRA0069554

DSSTox_RID_76233

LMFA01010006

MFCD00004421

AI3-07701

NCIOpen2_005355

RTR-035704

ST51046281

TR-035704

(C5-C9) Monobasic acids

(C6-C12) Alkylcarboxylic acid

AKOS000119844

I04-1053

J-007673

BRN 0773837

FEMA No. 2559

FT-0659402

C6:0 (Lipid numbers)

CH3-[CH2]4-COOH

Z955123566

Tox21_201517

Tox21_300406

142-62-1

Hexanoic acid, natural, >=98%, FCC

8040-17-3

Hexanoic acid, >=98%, FCC, FG

MCULE-1671810139

NCGC00248020-01

NCGC00248020-02

NCGC00254504-01

NCGC00259067-01

CAS-142-62-1

EINECS 205-550-7

EINECS 267-013-3

EINECS 271-676-4

EINECS 274-509-3

51109-46-7

53896-26-7

68603-84-9

70248-25-8

Caproic acid [UN2829] [Corrosive]

Hexanoic acid, natural, >=98%, FCC, FG

MolPort-001-769-761

11034-EP2269610A2

11034-EP2270002A1

11034-EP2277848A1

11034-EP2284146A2

11034-EP2284147A2

11034-EP2289510A1

11034-EP2298313A1

11034-EP2316457A1

11034-EP2316458A1

11034-EP2316825A1

11034-EP2316826A1

11034-EP2316827A1

11034-EP2316828A1

16407-EP2275401A1

16407-EP2281563A1

16407-EP2284160A1

16407-EP2289890A1

16407-EP2305646A1

16407-EP2305687A1

16407-EP2311824A1

16407-EP2311842A2

16407-EP2316459A1

16407-EP2374787A1

16420-EP2275401A1

16420-EP2281563A1

16420-EP2289890A1

16420-EP2305646A1

16420-EP2311842A2

16420-EP2316459A1

Caproic acid [UN2829] [Corrosive]

Hexanoic acid, purum, >=98.0% (GC)

19455-00-6 (potassium salt)

10051-44-2 (sodium salt)

38708-95-1 (calcium salt)

4-02-00-00917 (Beilstein Handbook Reference)

25401AB4-1ECB-481F-AC91-EAAFC9329BDD

16571-42-9 (manganese(2+) salt)

13476-79-4 (copper(2+) salt)

Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-

InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8

IUPAC name

hexanoic acid

SMILES

CCCCCC(=O)O

Inchi

InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)

Formula

C₆H₁₂O₂

PubChem ID

8892

Molweight

116.16

LogP

1.81

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Volatilization

The pKa of hexanoic acid is 4.88(1), indicating that this compound will exist predominantly as an anion under environmental conditions. Volatilization will not occur from water and moist soils since anions do not volatilize(SRC). Hexanoic acid is not expected to volatilize from dry soil surfaces(SRC), based upon an extrapolated vapor pressure of 0.0435 mm Hg at 25 deg C(2).
Literature: (1) Riddick, JA et al;. Techniques of Chemistry 4th ed Volume II. Organic Solvents. New York, NY: John Wiley and Sons, pp 372 (1985)(2) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation, NY: Hemisphere Pub Corp (1989)

Soil Adsorption

Koc values of 26, 24 and 37 have been experimentally measured, for an acidic forest soil (pH 2.8, 4.85% organic carbon), agricultural soil (pH 6.7, 1.25% organic carbon), and a lake sediment (pH 7.1, 1.58% organic carbon), respectively(1). According to a classification scheme(2), these measured Koc values suggest that hexanoic acid is very highly mobile in soil(SRC). In addition, the pKa of hexanoic acid is 4.88(3), indicating that this compound will primarily exist as an anion in the environment, and anions generally possess high mobility in soil(4).
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Riddick, JA et al;. Techniques of Chemistry 4th ed Volume II. Organic Solvents. New York, NY: John Wiley and Sons, pp 372 (1985) (4) 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
0.0435 mm at 25 deg C (est)	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 181910

MS-MS Spectrum 755 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 756 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179577

MS-MS Spectrum 4183 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 757 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4184 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 181908

MS-MS Spectrum 4182 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 179578

MS-MS Spectrum 4186 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

MS-MS Spectrum 179579

MS-MS Spectrum 4185 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 181909

MS-MS Spectrum 201354

1D-NMR-Links

1D NMR Spectrum 5038

1D NMR Spectrum 2940 - Varian 25.16 MHz 13C NMR

1D NMR Spectrum 5037

1D NMR Spectrum 1409 - Varian 500 MHz 1H NMR

1D NMR Spectrum 2245 - JEOL 400 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Escherichia Coli DH5a	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
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
Fungi	Candida Albicans		clinical exudates	Julak et al. 2003
Bacteria	Lactobacillus Casei NCIB 8010	n/a		Tracey and Britz, 1989
Bacteria	Lactobacillus Paracasei CIRM849	na	Majorero cheese	PogaÄiÄ‡ et al., 2016
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
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees 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
Fungi	Ganoderma Lucidum	na	saprophytic on deciduous trees	Ziegenbein et al., 2006
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Escherichia Coli DH5a	TSA	SPME-GC	no
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
Fungi	Candida Albicans	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Lactobacillus Casei NCIB 8010	n/a	n/a
Bacteria	Lactobacillus Paracasei CIRM849	curd-based broth medium	GC/MS	Yes
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
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-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
Fungi	Ganoderma Lucidum	na	GC/MS	No
Fungi	Spongiporus Leucomallellus	na	GC/MS	No

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

4-methylpentanoic Acid

Mass-Spectra

Compound Details

Synonymous names

Isohexanoate

Isobutylacetic acid

Isocaproate

Isohexoate

FGKJLKRYENPLQH-UHFFFAOYSA-N

Isohexanoic acid

Isocaproic acid

4-Methylvalericacid

Isohexoic acid

4-Methylvalerate

4-METHYLPENTANOIC ACID

AC1L1ZWX

4MV

4-methyl-pentanoate

4-Methylvaleric acid

4-methyl-Valerate

Isohexanoic acid, mixed isomers

4,4-Dimethylbutanoate

4-methyl-pentanoic acid

ACMC-1B3NG

4,4-Dimethylbutanoic acid

4-METHYL VALERIC ACID

KSC353A5H

4-methyl-Valeric acid

4,4-dimethylbutyric acid

SCHEMBL25603

9893AB

4-methyl-n-valerate

3-Methylbutane-1-carboxylic acid

Isohexanoic acid (mixed isomers)

NSC4126

CTK2F3053

M0750

4G4U8JA28T

M0457

HMDB00689

DB03993

4-Methyl-n-valeric acid

Pentanoicacid, 4-methyl-

HMS1732H05

UNII-4G4U8JA28T

ZINC391113

bmse000625

C21399

DTXSID8060951

WLN: QV2Y1&1

NSC 4126

NSC-4126

OR000395

OR111223

OR111224

SBB065829

CHEMBL1230308

STL168053

CHEBI:74903

Y-9848

Pentanoic acid, 4-methyl-

SC-57917

TRA0000401

TL8004601

LS-84480

4-Methylvaleric acid, 99%

ANW-41617

AN-20469

AK-94868

LMFA01020076

Valeric acid, 4-methyl-

MFCD00002803

TR-022107

AI3-04161

KB-193353

DB-003511

RTR-022107

ST45029000

J-515800

AKOS000121502

Z56347204

I04-0481

FEMA No. 3463

BRN 1741912

FT-0619146

646-07-1

1331-16-4

1866-94-0

MCULE-7691755837

EINECS 211-464-0

38784-67-7

4-Methylpentanoic acid, >=98%, FCC, FG

MolPort-001-788-350

Valeric acid, 4-methyl- (8CI)

11226-EP2316827A1

11226-EP2298766A1

4-02-00-00944 (Beilstein Handbook Reference)

InChI=1/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8

IUPAC name

4-methylpentanoic acid

SMILES

CC(C)CCC(=O)O

Inchi

InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

Formula

C₆H₁₂O₂

PubChem ID

12587

Molweight

116.16

LogP

1.65

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

MS-Links

MS-MS Spectrum 9529

MS-MS Spectrum 957 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 201669

MS-MS Spectrum 4422 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 4420 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 9527

MS-MS Spectrum 955 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4421 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 956 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4419 - EI-B (HITACHI M-80B) Positive

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
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

(E)-but-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names

Crotonicacid

Crotonsaeure

Butenoate

Kyselina krotonova

LDHQCZJRKDOVOX-NSCUHMNNSA-N

Trans-crotonicacid

transcrotonic acid

acide crotonique

alpha-butenoate

CH3CH=CHCOOH

beta-Methylacrylic acid

BUTENOIC ACID

CROTONIC ACID

a-butenoate

AC1LCTHA

b-methylacrylic acid

beta-Methacrylic acid

2-Butenoicacid

alpha-Butenoic acid

alpha-Crotonic acid

Solid crotonic acid

trans-Crotonic acid

2-Butenoate

3-Methylacrylic acid

a-butenoic acid

a-crotonic acid

Crotonic acid, liquid

trans-2-butenoate

YW5WZZ4O5Q

2-Butenoic acid

2E-butenoic acid

Crotonic acid, solid

2-butenic acid

Kyselina krotonova [Czech]

UNII-YW5WZZ4O5Q

3-methyl-Acrylic acid

trans-2-Butenoic acid

NSC8751

RB8002

UN2823

but-2-enoic acid

HMDB10720

DB02074

RL00335

RL03422

(E)-Crotonic acid

C01771

Crotonic acid, 98%

HSDB 2814

ZINC901132

AK109438

BBL027395

BC206359

CHEMBL1213528

NSC 8751

NSC-8751

OR034290

OR224080

OR264009

STL146356

UN 2823

CHEBI:17217

CHEBI:41131

Crotonic acid 500g

E-but-2-enoic acid

S-5685

AB1002980

AJ-24338

AK-41668

AN-20947

AN-42841

BR-41668

C4:1n-2

KB-49131

LS-55550

LS-55551

SC-19111

Acrylic acid, 3-methyl-

BB_NC-2305

BDBM50427207

LMFA01030195

MFCD00002701

(2E)-2-butenoate

AI3-06287

DB-029600

DB-029602

KB-209269

NSC 206946

RTR-001884

ST24024688

ST24026349

TR-001884

(E)-2-Butenoic acid

AKOS000119656

I04-0308

J-002036

Q-101243

S04-0170

BRN 1098434

BRN 1719943

FT-0624102

FT-0654375

(2E)-2-Butenoic acid

Crotonic acid, (E)-

(E)-but-2-enoic acid

107-93-7

F2191-0211

(2E)-but-2-enoic acid

3724-65-0

NCGC00249105-01

EINECS 203-533-9

EINECS 223-077-4

15105-17-6

2-Butenoic acid, (E)-

2-butenoic acid, (2E)-

MolPort-001-783-233

31578-EP2308858A1

31578-EP2311816A1

31578-EP2311817A1

Crotonic acid, liquid [UN2823] [Corrosive]

Crotonic acid, solid [UN2823] [Corrosive]

Crotonic acid, liquid [UN2823] [Corrosive]

2-Butenoic acid, (E)- (9CI)

4-02-00-01498 (Beilstein Handbook Reference)

InChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2

IUPAC name

(E)-but-2-enoic acid

SMILES

CC=CC(=O)O

Inchi

InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+

Formula

CH₃-CH=CH-COOH

PubChem ID

637090

Molweight

86.09

LogP

0.92

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids Alkenes carboxylic acids

mVOC Specific Details

Volatilization

The Henry's Law constant for trans-crotonic acid is estimated as 2.4X10-7 atm-cu m/mole(SRC) from a vapor pressure of 0.18 mm Hg(1) and a measured water solubility of 8.6X10+4 mg/l(2). This value indicates that trans-crotonic acid will be essentially nonvolatile from water surfaces(3,SRC). trans-Crotonic acid's Henry's Law constant(1,2,SRC) indicates that volatilization from moist soil surfaces is not expected to occur(SRC).
Literature: (1) Blau W et al; Ullmann's Encycl Indust Chem. Gerhartz W (ed). NY,NY: VCH Publ Vol A8: 85-88 (1987) (2) Yalkowsky SH, Dannenfelser RM; The Aquasol Database of Aqueous Solubility. Fifth ed, Tucson, AZ: Univ AZ, College of Pharmacy, PC Ver. (1992) (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 crotonic acid is estimated as approximately 59(SRC), using a measured log Kow of 0.72(1) and a regression-derived equation(2,SRC). According to a classification scheme(3), this estimated Koc value suggests that crotonic 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 9(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
24 Pa at 20 deg C	Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA8 86

MS-Links

MS-MS Spectrum 205279

MS-MS Spectrum 151370

MS-MS Spectrum 151368

MS-MS Spectrum 151369

MS-MS Spectrum 88610

MS-MS Spectrum 205280

MS-MS Spectrum 205281

MS-MS Spectrum 88609

MS-MS Spectrum 205278

MS-MS Spectrum 88608

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Clostridium Sp.	n/a	n/a

Results for: Species: Clostridium sp. Signature

Acetic Acid

Compound Details

mVOC Specific Details

3-hydroxybutan-2-one

Compound Details

mVOC Specific Details

Butane-2,3-diol

Compound Details

mVOC Specific Details

Butanoic Acid

Compound Details

mVOC Specific Details

Formic Acid

Compound Details

mVOC Specific Details

Ethanol

Compound Details

mVOC Specific Details

Methanol

Compound Details

mVOC Specific Details

Propanoic Acid

Compound Details

mVOC Specific Details

Methylsulfanylmethane

Compound Details

mVOC Specific Details

3-methylbutan-1-ol

Compound Details

mVOC Specific Details

2-methylpropan-1-ol

Compound Details

mVOC Specific Details

Ethene

Compound Details

mVOC Specific Details

Prop-2-enoic Acid

Compound Details

mVOC Specific Details

2-methylpropanoic Acid

Compound Details

mVOC Specific Details

Pentanoic Acid

Compound Details

mVOC Specific Details

Hexanoic Acid

Compound Details

mVOC Specific Details

3-methylbutanoic Acid

Compound Details

mVOC Specific Details

4-methylpentanoic Acid

Compound Details

mVOC Specific Details

(E)-but-2-enoic Acid

Compound Details

mVOC Specific Details

Results for:
Species: Clostridium sp.

Signature