Results for:
PubChem ID: 13357

Methyl 2-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names
Methyl anteisovalerate
Methyl alpha-methylbutanoate
gooseberry butyrate
OCWLYWIFNDCWRZ-UHFFFAOYSA-N
Methyl alpha-methylbutyrate
methyl-2-methylbutyrate
METHYL 2-METHYLBUTANOATE
Methyl 2-methylbutyrate
a-Methylbutyric acid methyl ester
Methyl .alpha.-methylbutanoate
Nat.Methyl-2-Methylbutyrate
Methyl DL-2-Methylbutyrate
Methyl 2-methylbutyrate, analytical standard
2-Methylbutyric acid methyl ester
Methyl .alpha.-methylbutyrate
methyl 2 methyl butyrate
methyl 2-methyl butyrate
METHYL 2-METHYLBUTYRATE)
2-methylbutanoic acid methyl ester
methyl-2-methyl butyrate
AC1L21KC
KSC494K8T
dl-2-Methylbutyric acid methyl ester
CTK3J4589
2-Methylbutyric acid, methyl ester
2-Methylbutanoic acid, methyl ester
M0758
Methyl 2-methylbutyrate (natural)
VZ36288
SCHEMBL108113
Methyl ester of 2-methyl-butanoic acid
OR010924
DTXSID1052587
OR280991
CHEMBL2287316
Methyl (S)-2-Methylbutanoate
Methyl 2-methylbutyrate, 99%
CHEBI:88538
ANW-42002
AN-20552
DSSTox_GSID_52587
KB-53943
DSSTox_CID_31160
LMFA07010934
MFCD00009335
( )-Methyl a-methylbutyrate
DB-056956
RTR-027041
AI3-34461
TR-027041
Methyl ( )-2-methylbutanoate
Butanoic acid,2-methyl-, methyl ester
AKOS009117977
( )-Methyl 2-methylbutanoate
FT-0628462
FEMA No. 2719
I14-19921
Tox21_303742
Butanoic acid, 2-methyl-, methyl ester
868-57-5
Butyric acid, 2-methyl-, methyl ester
NCGC00357048-01
CAS-868-57-5
EINECS 212-778-0
Methyl 2-methylbutyrate, >=98%, FCC, FG
53955-81-0
Butyric acid, .alpha.-methyl-, methyl ester
MolPort-003-929-045
Methyl 2-methylbutyrate, natural, >=98%, FCC, FG
Butanoic acid, 2-methyl-, methyl ester, ( )-
Butanoic acid, 2-methyl-, methyl ester, (.+/-.)-
Microorganism:

Yes

IUPAC namemethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OC
InchiInChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
FormulaC6H12O2
PubChem ID13357
Molweight116.16
LogP1.61
Atoms20
Bonds19
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters Ester

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber AestivumBurgundy regionMolinier et al., 2015
FungiEmericella Nidulansn/aFischer et al., 1999
FungiXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaStreptomyces Platensis F-1n/aS. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa).Wan et al., 2008
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber AestivumHS-SPME/GC-MS Yes
FungiEmericella Nidulansyeast extract sucrose agarn/a
FungiXylaria Sp.PDA mediumSPME-GC/MSYes
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/an/a
BacteriaStreptomyces Antibioticus ETH 22014n/an/a
BacteriaStreptomyces Aureofaciens ETH 13387n/an/a
BacteriaStreptomyces Aureofaciens ETH 28832n/an/a
BacteriaStreptomyces Coelicolor ATCC 21666n/an/a
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hygroscopicus IFO 13255n/an/a
BacteriaStreptomyces Murinus DSM 40091n/an/a
BacteriaStreptomyces Murinus NRRL 8171n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
BacteriaStreptomyces Platensis F-1autoclaved wheat seedsHeadspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS.
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS
BacteriaActinomycetes Spp.n/an/a
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS