Results for:
PubChem ID: 102491

Methyl 2-ethylhexanoate

Mass-Spectra

Compound Details

Synonymous names
Methyl 2-ethylhexanoate
816-19-3
Hexanoic acid, 2-ethyl-, methyl ester
Hexanoic acid,2-ethyl-, methyl ester
2-Ethylhexanoic Acid Methyl Ester
CHEMBL1762665
2-Ethyl-methyl ester hexanoic acid
Methyl-2-Butyl-Butyrate
3100891M19
EINECS 212-429-2
UNII-3100891M19
methyl 2 ethylhexanoate
AI3-33653
methyl 2-ethyl hexanoate
EC 212-429-2
SCHEMBL49923
2-Ethylhexanoic acid methylester
DTXSID9052559
KICUISADAVMYCJ-UHFFFAOYSA-
BDBM50340083
Methyl ester of 2-ethylhexanoic acid
MFCD00043849
AKOS009513282
MCULE-4166830485
AS-76678
DB-171899
NS00001346
D93232
EN300-170600
Q27255986
InChI=1/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3
Microorganism:

Yes

IUPAC namemethyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OC
InchiInChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3
FormulaC9H18O2
PubChem ID102491
Molweight158.24
LogP3
Atoms11
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
Supernatural-IDSN0186253

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANABazemore et al. 2012
ProkaryotaLysobacter Capsiciantifungal activity against the growth of Pythium ultimum, Rhizoctonia solani and Sclerotinia minorNAVlassi et al. 2020
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusSDA + ElastinTD/GC-MSno
EukaryotaAspergillus FumigatusSDA + BSATD/GC-MSno
ProkaryotaLysobacter CapsiciNA-mediaGC-MSno
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes
ProkaryotaCollimonas PratensisHeadspace trapping/GC-MSno