Results for:
Species: Bacteroides vulgatus

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%
Microorganism:

Yes

IUPAC nameacetic acid
SMILESCC(=O)O
InchiInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
FormulaCH3COOH
PubChem ID176
Molweight60.052
LogP-0.22
Atoms8
Bonds7
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids 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
PressureReference
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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAcinetobacter Baumaniiclinical exudatesJulak et al. 2003
BacteriaActinobacillus Actinomycetemcomitans Y4n/aKurita-Ochiai et al., 1995
BacteriaActinomyces Europaeusclinical exudatesJulak et al. 2003
BacteriaActinomyces Naeslundiiclinical exudatesJulak et al. 2003
BacteriaArthrobacter Agilis UMCV2narhizosphere of maize plantsVelázquez-Becerra et al.,2011
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaBacillus Spp.Highly attractive to Mexican fruit flies.Schulz and Dickschat, 2007
BacteriaBacteroides Biviusn/aWiggins et al., 1985
BacteriaBacteroides Capillosusclinical exudatesJulak et al. 2003
BacteriaBacteroides Distasonisn/aWiggins et al., 1985
BacteriaBacteroides FragilisReduction 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
BacteriaBacteroides Ovatusn/aWiggins et al., 1985
BacteriaBacteroides Pyogenesclinical exudatesJulak et al. 2003
BacteriaBacteroides Thetaiotamicronn/aWiggins et al., 1985
BacteriaBacteroides Vulgatusn/aWiggins et al., 1985
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
BacteriaCapnocytophaga Ochracea ATCC 33596n/aKurita-Ochiai et al., 1995
BacteriaClostridium Bifermentansn/aWiggins et al., 1985
BacteriaClostridium Butyricumn/aWiggins et al., 1985
BacteriaClostridium Cadaverumn/aWiggins et al., 1985
BacteriaClostridium Difficileclinical exudatesJulak et al. 2003
BacteriaClostridium Fallaxn/aWiggins et al., 1985
BacteriaClostridium Histolyticumn/aWiggins et al., 1985
BacteriaClostridium Perfringensclinical exudatesJulak et al. 2003
BacteriaClostridium Ramosumclinical exudatesJulak et al. 2003
BacteriaClostridium Septicumclinical exudatesJulak et al. 2003
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaClostridium Sporogenesn/aWiggins et al., 1985
BacteriaClostridium Tertiumn/aWiggins et al., 1985
BacteriaEnterococcus Faecalisclinical exudatesJulak et al. 2003
BacteriaEscherichia Colin/aBunge et al., 2008
BacteriaEubacterium Lentumclinical exudatesJulak et al. 2003
BacteriaFusobacterium Necrophorumclinical exudatesJulak et al. 2003
BacteriaFusobacterium Nucleatum ATCC 23726n/aKurita-Ochiai et al., 1995
BacteriaFusobacterium Nucleatum ATCC 33568n/aKurita-Ochiai et al., 1995
BacteriaFusobacterium Simiaeclinical exudatesJulak et al. 2003
BacteriaHaemophilus InfluenzaeclinicPreti., 2009
BacteriaKlebsiella Pneumoniaen/aJulak et al., 2003
BacteriaLactobacillus Acidophilusclinical exudatesJulak et al. 2003
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactobacillus Rhamnosus CIRM1436naDomiati cheesePogačić et al., 2016
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaNocardia Sp.clinical exudatesJulak et al. 2003
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaPeptostreptococcus Anaerobicusclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Asaccharolyticusclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Prevotiiclinical exudatesJulak et al. 2003
BacteriaPorphyromonas Gingivalis FDC381n/aKurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis W83n/aKurita-Ochiai et al., 1995
BacteriaPrevotella Intermedia ATCC 25261n/aKurita-Ochiai et al., 1995
BacteriaPrevotella Loescheii ATCC 15930n/aKurita-Ochiai et al., 1995
BacteriaPropionibacterium Acnesclinical exudatesJulak et al. 2003
BacteriaPropionibacterium Propionicumclinical exudatesJulak et al. 2003
BacteriaProteus Mirabilisclinical exudatesJulak et al. 2003
BacteriaPseudomonas Brassicacearum USB2104reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
BacteriaSalmonella Enterican/aBunge et al., 2008
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaShigella Flexnerin/aBunge et al., 2008
BacteriaStaphylococcus Aureusn/aJulak et al., 2003
BacteriaStaphylococcus Epidermidisclinical exudatesJulak et al. 2003
BacteriaStaphylococcus Sp.Highly attractive to Mexican fruit flies.Schulz and Dickschat, 2007
BacteriaStreptococcus Agalactiaeclinical exudatesJulak et al. 2003
BacteriaStreptococcus Dysgalactiaemilk of cowsHettinga et al 2010
BacteriaStreptococcus PneumoniaeclinicPreti., 2009
BacteriaStreptococcus Pyogenesclinical exudatesJulak et al. 2003
BacteriaStreptococcus Uberismilk of cowsHettinga et al 2010
BacteriaStreptococcus Viridansclinical exudatesJulak et al. 2003
BacteriaVeillonella 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
FungiCandida Albicansclinical exudatesJulak et al. 2003
FungiCandida Tropicalisn/aBunge et al., 2008
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
FungiPenicillium Aurantiogriseumn/aBoerjesson et al., 1990
Fungi Penicillium CamembertiLarsen 2000
Fungi Penicillium CaseifulvumLarsen 2000
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAcinetobacter Baumaniipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaActinobacillus Actinomycetemcomitans Y4n/an/a
BacteriaActinomyces Europaeuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaActinomyces Naeslundiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaArthrobacter Agilis UMCV2LB medium/NA mediumSPME-GC/MSNo
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaBacillus Spp.n/an/a
BacteriaBacteroides Biviusn/an/a
BacteriaBacteroides Capillosuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Distasonisn/an/a
BacteriaBacteroides Fragilisn/an/a
BacteriaBacteroides Ovatusn/an/a
BacteriaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Thetaiotamicronn/an/a
BacteriaBacteroides Vulgatusn/an/a
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
BacteriaCapnocytophaga Ochracea ATCC 33596n/an/a
BacteriaClostridium Bifermentansn/an/a
BacteriaClostridium Butyricumn/an/a
BacteriaClostridium Cadaverumn/an/a
BacteriaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Fallaxn/an/a
BacteriaClostridium Histolyticumn/an/a
BacteriaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Sp.n/an/a
BacteriaClostridium Sporogenesn/an/a
BacteriaClostridium Tertiumn/an/a
BacteriaEnterococcus Faecalispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaEscherichia Colin/an/a
BacteriaEubacterium Lentumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaFusobacterium Necrophorumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaFusobacterium Nucleatum ATCC 23726n/an/a
BacteriaFusobacterium Nucleatum ATCC 33568n/an/a
BacteriaFusobacterium Simiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaHaemophilus InfluenzaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaKlebsiella PneumoniaeVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS
BacteriaLactobacillus Acidophiluspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactobacillus Rhamnosus CIRM1436curd-based broth mediumGC/MSYes
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaNocardia Sp.peptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaPeptostreptococcus Anaerobicuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Asaccharolyticuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Prevotiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPorphyromonas Gingivalis FDC381n/an/a
BacteriaPorphyromonas Gingivalis W83n/an/a
BacteriaPrevotella Intermedia ATCC 25261n/an/a
BacteriaPrevotella Loescheii ATCC 15930n/an/a
BacteriaPropionibacterium Acnespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPropionibacterium Propionicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaProteus Mirabilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
BacteriaSalmonella Enterican/an/a
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaShigella Flexnerin/an/a
BacteriaStaphylococcus AureusVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS
BacteriaStaphylococcus Epidermidispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaStaphylococcus Sp.n/an/a
BacteriaStreptococcus Agalactiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaStreptococcus DysgalactiaeGCMS DSQno
BacteriaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaStreptococcus Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaStreptococcus UberisGCMS DSQno
BacteriaStreptococcus Viridanspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaVeillonella Spp.n/an/a
FungiCandida Albicanspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
FungiCandida Tropicalisn/an/a
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS
FungiPenicillium Aurantiogriseumn/an/a
Fungi Penicillium Camembertino
Fungi Penicillium Caseifulvumno
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiTuber Aestivumn/an/a
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/an/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
Microorganism:

Yes

IUPAC namepropanoic acid
SMILESCCC(=O)O
InchiInChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
FormulaCH3CH2COOH
PubChem ID1032
Molweight74.079
LogP0.48
Atoms11
Bonds10
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids 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
PressureReference
3.53 mm Hg at 25 deg CDaubert, 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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaEscherichia Colin/aJulak et al., 2003
BacteriaKlebsiella Pneumoniaen/aJulak et al., 2003
BacteriaPseudomonas Flureorescens SBW25Cheng et al. 2016
BacteriaStaphylococcus Sp.n/aSchulz and Dickschat, 2007
Fungi Penicillium CamembertiLarsen 2001
Fungi Penicillium CaseifulvumLarsen 2001
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaAcinetobacter Baumaniiclinical exudatesJulak et al. 2003
BacteriaActinomyces Naeslundiiclinical exudatesJulak et al. 2003
BacteriaBacillus Simplexn/aGu et al., 2007
BacteriaBacillus Subtilisn/aGu et al., 2007
BacteriaBacillus Weihenstephanensisn/aGu et al., 2007
BacteriaBacteroides Capillosusclinical exudatesJulak et al. 2003
BacteriaBacteroides Distasonisn/aWiggins et al., 1985
BacteriaBacteroides Fragilisclinical exudatesJulak et al. 2003
BacteriaBacteroides Ovatusn/aWiggins et al., 1985
BacteriaBacteroides Pyogenesclinical exudatesJulak et al. 2003
BacteriaBacteroides Thetaiotamicronn/aWiggins et al., 1985
BacteriaBacteroides Vulgatusn/aWiggins et al., 1985
BacteriaCapnocytophaga Ochracea ATCC 33596n/aKurita-Ochiai et al., 1995
BacteriaClostridium Bifermentansn/aWiggins et al., 1985
BacteriaClostridium Cadaverumn/aWiggins et al., 1985
BacteriaClostridium Difficileclinical exudatesJulak et al. 2003
BacteriaClostridium Perfringensclinical exudatesJulak et al. 2003
BacteriaClostridium Ramosumclinical exudatesJulak et al. 2003
BacteriaClostridium Septicumclinical exudatesJulak et al. 2003
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaClostridium Sporogenesn/aWiggins et al., 1985
BacteriaClostridium Tertiumclinical exudatesJulak et al. 2003
BacteriaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaEubacterium Lentumclinical exudatesJulak et al. 2003
BacteriaFusobacterium Necrophorumclinical exudatesJulak et al. 2003
BacteriaFusobacterium NucleatumInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaFusobacterium Nucleatum ATCC 23726n/aKurita-Ochiai et al., 1995
BacteriaFusobacterium Nucleatum ATCC 33568n/aKurita-Ochiai et al., 1995
BacteriaFusobacterium Simiaeclinical exudatesJulak et al. 2003
BacteriaKlebsiella PneumoniaeNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaLactobacillus Acidophilusclinical exudatesJulak et al. 2003
BacteriaMicrobacterium Oxydansn/aGu et al., 2007
BacteriaNocardia Sp.clinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Anaerobicusclinical exudatesJulak et al. 2003
BacteriaPorphyromonas GingivalisInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis FDC381n/aKurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis W83n/aKurita-Ochiai et al., 1995
BacteriaPrevotella LoescheiiInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaPrevotella Loescheii ATCC 15930n/aKurita-Ochiai et al., 1995
BacteriaPropionibacterium Acnesclinical exudatesJulak et al. 2003
BacteriaPropionibacterium Propionicumclinical exudatesJulak et al. 2003
BacteriaSerratia Marcescensn/aGu et al., 2007
BacteriaStenotrophomonas Maltophilian/aGu et al., 2007
BacteriaStreptomyces Lateritiusn/aGu et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaEscherichia ColiVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS
BacteriaKlebsiella PneumoniaeVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS
BacteriaPseudomonas Flureorescens SBW25Kings B + rif,+kann; PDA GC-Q-TOF-MSno
BacteriaStaphylococcus Sp.n/an/a
Fungi Penicillium Camembertino
Fungi Penicillium Caseifulvumno
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaAcinetobacter Baumaniipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaActinomyces Naeslundiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaBacteroides Capillosuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Distasonisn/an/a
BacteriaBacteroides Fragilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Ovatusn/an/a
BacteriaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Thetaiotamicronn/an/a
BacteriaBacteroides Vulgatusn/an/a
BacteriaCapnocytophaga Ochracea ATCC 33596n/an/a
BacteriaClostridium Bifermentansn/an/a
BacteriaClostridium Cadaverumn/an/a
BacteriaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Sp.n/an/a
BacteriaClostridium Sporogenesn/an/a
BacteriaClostridium Tertiumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaEscherichia Colipeptone, casein, yeast extract, glucoseGC-FID FSOT NUKOLno
BacteriaEubacterium Lentumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaFusobacterium Necrophorumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaFusobacterium Nucleatumn/an/a
BacteriaFusobacterium Nucleatum ATCC 23726n/an/a
BacteriaFusobacterium Nucleatum ATCC 33568n/an/a
BacteriaFusobacterium Simiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaKlebsiella Pneumoniaepeptone, casein, yeast extract, glucoseGC-FID FSOT NUKOLno
BacteriaLactobacillus Acidophiluspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaMicrobacterium Oxydansn/an/a
BacteriaNocardia Sp.peptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Anaerobicuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPorphyromonas Gingivalisn/an/a
BacteriaPorphyromonas Gingivalis FDC381n/an/a
BacteriaPorphyromonas Gingivalis W83n/an/a
BacteriaPrevotella Loescheiin/an/a
BacteriaPrevotella Loescheii ATCC 15930n/an/a
BacteriaPropionibacterium Acnespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPropionibacterium Propionicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/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
Microorganism:

Yes

IUPAC name2-methylpropanoic acid
SMILESCC(C)C(=O)O
InchiInChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
Formula(CH3)2CHCOOH
PubChem ID6590
Molweight88.106
LogP1.02
Atoms14
Bonds13
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids 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
PressureReference
1.81 mm Hg at 25 deg CDaubert, 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
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStaphylococcus Aureusn/aPreti et. al., 2009
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
BacteriaBacteroides FragilisReduction 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
BacteriaVeillonella 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
BacteriaBacteroides Distasonisn/aWiggins et al., 1985
BacteriaBacteroides Fragilisclinical exudatesJulak et al. 2003
BacteriaBacteroides Pyogenesclinical exudatesJulak et al. 2003
BacteriaBacteroides Thetaiotamicronn/aWiggins et al., 1985
BacteriaBacteroides Vulgatusn/aWiggins et al., 1985
BacteriaClostridium Bifermentansclinical exudatesJulak et al. 2003
BacteriaClostridium Difficileclinical exudatesJulak et al. 2003
BacteriaClostridium Perfringensclinical exudatesJulak et al. 2003
BacteriaClostridium Ramosumclinical exudatesJulak et al. 2003
BacteriaClostridium Septicumclinical exudatesJulak et al. 2003
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaClostridium Sporogenesn/aWiggins et al., 1985
BacteriaEnterobacter Cloacaeclinical exudatesJulak et al. 2003
BacteriaEubacterium Lentumclinical exudatesJulak et al. 2003
BacteriaPeptococcus Nigerclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Anaerobicusclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Asaccharolyticusclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Prevotiiclinical exudatesJulak et al. 2003
BacteriaPorphyromonas Gingivalis FDC381n/aKurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis W83n/aKurita-Ochiai et al., 1995
BacteriaPrevotella Intermedia ATCC 25261n/aKurita-Ochiai et al., 1995
BacteriaPrevotella Loescheii ATCC 15930n/aKurita-Ochiai et al., 1995
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
FungiBoletus Variegatusn/aStotzky and Schenk, 1976
Fungi Muscodor AlbusEzra et al. 2004
Fungi Penicillium SppEzra et al. 2004
Fungi Polysporus SulfureusEzra et al. 2004
BacteriaStaphylococcus Xylosusn/aSchulz and Dickschat, 2007
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
FungiMuscodor Crispansn/aMitchell et al., 2010
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStaphylococcus AureusBlood agar/chocolate blood agaHS-SPME/GC-MS
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
FungiSaccharomyces Cerevisiae Y1001n/an/a
BacteriaBacteroides Fragilisn/an/a
BacteriaVeillonella Spp.n/an/a
BacteriaBacteroides Distasonisn/an/a
BacteriaBacteroides Fragilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Thetaiotamicronn/an/a
BacteriaBacteroides Vulgatusn/an/a
BacteriaClostridium Bifermentanspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Sp.n/an/a
BacteriaClostridium Sporogenesn/an/a
BacteriaEnterobacter Cloacaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaEubacterium Lentumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptococcus Nigerpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Anaerobicuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Asaccharolyticuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Prevotiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPorphyromonas Gingivalis FDC381n/an/a
BacteriaPorphyromonas Gingivalis W83n/an/a
BacteriaPrevotella Intermedia ATCC 25261n/an/a
BacteriaPrevotella Loescheii ATCC 15930n/an/a
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
FungiBoletus Variegatusn/an/a
Fungi Muscodor Albusno
Fungi Penicillium Sppno
Fungi Polysporus Sulfureusno
BacteriaStaphylococcus Xylosusn/an/a
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
FungiMuscodor Crispanspotato dextrose agarSPME-GC-MS
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS


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
Microorganism:

Yes

IUPAC name3-methylbutanoic acid
SMILESCC(C)CC(=O)O
InchiInChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
FormulaC5H10O2
PubChem ID10430
Molweight102.133
LogP1.21
Atoms17
Bonds16
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids carboxylic acids esters

mVOC Specific Details

Boiling Point
DegreeReference
176.5 °CPhysProp
176.5 DEG C @ 760 MM HGLide, 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
PressureReference
0.44 mm Hg at 25 deg CYaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston, TX: Gulf Publishing Co. p. 387 (1994)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaKlebsiella Pneumoniaen/aJulak et al., 2003
BacteriaStaphylococcus Aureusn/aJulak et al., 2003
BacteriaStaphylococcus Aureusmilk of cowsHettinga et al 2010
BacteriaEscherichia Coli O157:H7China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus Aureus ATCC 6538China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Anthina LMG 20980n/aBlom et al., 2011
BacteriaBurkholderia Caledonica LMG 19076n/aBlom et al., 2011
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glathei LMG 14190n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaEscherichia Colin/aTait et al., 2014
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaKlebsiella Pneumoniaen/aTait et al., 2014
BacteriaLactobacillus Paracasei LSL 248nanaPogačić et al., 2016
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaStaphylococcus Aureusn/aTait et al., 2014
BacteriaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
BacteriaStaphylococcus Sciuriattract Episyrphus balteatusfrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaStaphylococcus Xylosusn/aSchulz and Dickschat, 2007
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaCorynebacterium Striatum RV2clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Striatum V6894clinical isolateLemfack et al. 2016
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaStaphylococcus Epidermidis ATCC 12228Lemfack et al. 2016
BacteriaStaphylococcus Epidermidis ATCC 14990clinical isolate,noseLemfack et al. 2016
BacteriaStaphylococcus Epidermidis DSM 3269clinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Epidermidis RP62Aclinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Haemolyticus CCM 2729clinical isolate,human skinLemfack et al. 2016
BacteriaStaphylococcus Intermedius 9Sclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Saccharolyticus B5709clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi H34clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi V431clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ATCC 29061Southernflying squirrel skinLemfack et al. 2016
BacteriaStaphylococcus Sciuri H4286clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ORclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri V405clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri Yclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Warneri CCM 2730clinical isolate,human skinLemfack et al. 2016
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
BacteriaBacteroides FragilisReduction 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
BacteriaVeillonella 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
BacteriaActinomyces Europaeusclinical exudatesJulak et al. 2003
BacteriaActinomyces Naeslundiiclinical exudatesJulak et al. 2003
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaBacteroides Capillosusclinical exudatesJulak et al. 2003
BacteriaBacteroides Distasonisn/aWiggins et al., 1985
BacteriaBacteroides Fragilisclinical exudatesJulak et al. 2003
BacteriaBacteroides Ovatusn/aWiggins et al., 1985
BacteriaBacteroides Pyogenesclinical exudatesJulak et al. 2003
BacteriaBacteroides Thetaiotamicronn/aWiggins et al., 1985
BacteriaBacteroides Vulgatusn/aWiggins et al., 1985
BacteriaCapnocytophaga Ochracea ATCC 33596n/aKurita-Ochiai et al., 1995
BacteriaClostridium Bifermentansn/aWiggins et al., 1985
BacteriaClostridium Difficileclinical exudatesJulak et al. 2003
BacteriaClostridium Perfringensclinical exudatesJulak et al. 2003
BacteriaClostridium Ramosumclinical exudatesJulak et al. 2003
BacteriaClostridium Septicumclinical exudatesJulak et al. 2003
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaClostridium Sporogenesn/aWiggins et al., 1985
BacteriaEubacterium Lentumclinical exudatesJulak et al. 2003
BacteriaFusobacterium NucleatumInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaFusobacterium Simiaeclinical exudatesJulak et al. 2003
BacteriaLactobacillus Acidophilusclinical exudatesJulak et al. 2003
BacteriaPeptococcus Nigerclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Anaerobicusclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Asaccharolyticusclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Prevotiiclinical exudatesJulak et al. 2003
BacteriaPorphyromonas GingivalisInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis FDC381n/aKurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis W83n/aKurita-Ochiai et al., 1995
BacteriaPrevotella Intermedia ATCC 25261n/aKurita-Ochiai et al., 1995
BacteriaPrevotella LoescheiiInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaPrevotella Loescheii ATCC 15930n/aKurita-Ochiai et al., 1995
BacteriaPropionibacterium Acnesclinical exudatesJulak et al. 2003
BacteriaPropionibacterium Propionicumclinical exudatesJulak et al. 2003
BacteriaStaphylococcus Epidermidisclinical exudatesJulak et al. 2003
FungiAgaricus BisporusStimulation of spore germination of Agaricus bisporus.Stotzky and Schenk, 1976
FungiAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Muscodor AlbusEzra et al. 2005
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Penicillium SppEzra et al. 2005
Fungi Polysporus SulfureusEzra et al. 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaKlebsiella PneumoniaeVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS
BacteriaStaphylococcus AureusVF (peptone, NaCl)HS-SPME/GC-MS
BacteriaStaphylococcus AureusGCMS DSQno
BacteriaEscherichia Coli O157:H7Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus Aureus ATCC 6538Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
FungiSaccharomyces Cerevisiae Y1001n/an/a
BacteriaBurkholderia Andropogonis LMG 2129MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Anthina LMG 20980MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caledonica LMG 19076MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Fungorum LMG 16225MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glathei LMG 14190MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Xenovorans LMG 21463AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaMR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia ColiBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar GC Column
BacteriaEscherichia Coli OP50MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaKlebsiella PneumoniaeBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar GC Column
BacteriaLactobacillus Paracasei LSL 248curd-based broth mediumGC/MSYes
BacteriaPseudomonas ChlororaphisMS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaSerratia Plymuthica IC14MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStaphylococcus AureusBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar GC Column
BacteriaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
BacteriaStaphylococcus Sciuri873 liquid mediumSPME-GC/MS
BacteriaStaphylococcus Xylosusn/an/a
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaCorynebacterium Striatum RV2brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum V6894brain heart infusion mediumPorapak / GC/MSno
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaStaphylococcus Epidermidis ATCC 12228brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis ATCC 14990brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis DSM 3269brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis RP62Abrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Haemolyticus CCM 2729brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Intermedius 9Sbrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Saccharolyticus B5709brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi H34brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi V431brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri ATCC 29061brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri H4286brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri ORbrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri V405brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri Ybrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Warneri CCM 2730brain heart infusion mediumPorapak / GC/MSno
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
BacteriaBacteroides Fragilisn/an/a
BacteriaVeillonella Spp.n/an/a
BacteriaActinomyces Europaeuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaActinomyces Naeslundiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaBacteroides Capillosuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Distasonisn/an/a
BacteriaBacteroides Fragilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Ovatusn/an/a
BacteriaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Thetaiotamicronn/an/a
BacteriaBacteroides Vulgatusn/an/a
BacteriaCapnocytophaga Ochracea ATCC 33596n/an/a
BacteriaClostridium Bifermentansn/an/a
BacteriaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Sp.n/an/a
BacteriaClostridium Sporogenesn/an/a
BacteriaEubacterium Lentumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaFusobacterium Nucleatumn/an/a
BacteriaFusobacterium Simiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaLactobacillus Acidophiluspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptococcus Nigerpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Anaerobicuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Asaccharolyticuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Prevotiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPorphyromonas Gingivalisn/an/a
BacteriaPorphyromonas Gingivalis FDC381n/an/a
BacteriaPorphyromonas Gingivalis W83n/an/a
BacteriaPrevotella Intermedia ATCC 25261n/an/a
BacteriaPrevotella Loescheiin/an/a
BacteriaPrevotella Loescheii ATCC 15930n/an/a
BacteriaPropionibacterium Acnespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPropionibacterium Propionicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaStaphylococcus Epidermidispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
FungiAgaricus Bisporusn/an/a
FungiAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Muscodor Albusno
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Penicillium Sppno
Fungi Polysporus Sulfureusno