Results for:
PubChem ID: 17008

Methyl 4-methylpentanoate

Mass-Spectra

Compound Details

Synonymous names
Methyl isobutylacetate
Methyl isohexanoate
Methyl isocaproate
KBCOVKHULBZKNY-UHFFFAOYSA-N
METHYL 4-METHYLPENTANOATE
Methyl 4-methylvalerate
4-methylpentanoic acid methyl ester
J4R2BY5GJT
methyl 4-methyl valerate
4-Methylvaleric acid methyl ester
UNII-J4R2BY5GJT
CTK6J2124
4-Methylvaleric acid, methyl ester
SCHEMBL125808
AC1L2955
DTXSID0062393
OR246427
OR010989
Methyl 4-methylvalerate, >=97%
ZINC2038642
CJ-32150
KB-78710
LMFA07010953
PENTANOIC ACID,4-METHYL-, METHYL ESTER
AKOS008903317
FEMA No. 2721
Pentanoic acid, 4-methyl-, methyl ester
Valeric acid, 4-methyl-, methyl ester
2412-80-8
EINECS 219-320-9
Microorganism:

Yes

IUPAC namemethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OC
InchiInChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3
FormulaC7H14O2
PubChem ID17008
Molweight130.187
LogP1.8
Atoms23
Bonds22
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaActinomycetes Spp.n/an/a
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes