Results for:
PubChem ID: 102491

Methyl 2-ethylhexanoate

Mass-Spectra

Compound Details

Synonymous names
KICUISADAVMYCJ-UHFFFAOYSA-N
KICUISADAVMYCJ-UHFFFAOYSA-
Methyl 2-ethylhexanoate
methyl 2 ethylhexanoate
AC1L2SWL
2-Ethylhexanoic Acid Methyl Ester
AC1Q5YS9
Methyl-2-Butyl-Butyrate
KSC648S5D
SCHEMBL49923
Methyl ester of 2-ethylhexanoic acid
CTK5E8951
CHEMBL1762665
DTXSID9052559
SBB061118
OR275711
OR041566
TRA0051154
BDBM50340083
TX-017704
ST51047178
AI3-33653
Hexanoic acid,2-ethyl-, methyl ester
AKOS009513282
816-19-3
Hexanoic acid, 2-ethyl-, methyl ester
MCULE-4166830485
EINECS 212-429-2
125803-33-0
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
Molweight158.241
LogP2.94
Atoms29
Bonds28
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEster Esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiXylaria Sp.PDA mediumSPME-GC/MSYes
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS