Results for:
PubChem ID: 17008

Methyl 4-methylpentanoate

Mass-Spectra

Compound Details

Synonymous names	Methyl 4-methylvalerate METHYL 4-METHYLPENTANOATE 2412-80-8 Methyl isocaproate Pentanoic acid, 4-methyl-, methyl ester Methyl isohexanoate Valeric acid, 4-methyl-, methyl ester 4-Methylvaleric acid methyl ester Methyl isobutylacetate FEMA 2721 methyl 4-methyl valerate FEMA No. 2721 J4R2BY5GJT 4-Methylvaleric acid, methyl ester 4-methylpentanoic acid methyl ester UNII-J4R2BY5GJT EINECS 219-320-9 methyl-4-methylpentanoate SCHEMBL125808 DTXSID0062393 CHEBI:179994 Methyl 4-methylvalerate, >=97% LMFA07010953 AKOS008903317 Pentanoic acid,4-methyl-,methyl ester METHYL 4-METHYLVALERATE [FHFI] DB-080822 NS00012933 Q27281203
Microorganism:	Yes
IUPAC name	methyl 4-methylpentanoate
SMILES	CC(C)CCC(=O)OC
Inchi	InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3
Formula	C7H14O2
PubChem ID	17008
Molweight	130.18
LogP	2.1
Atoms	9
Bonds	4
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	179994
Supernatural-ID	SN0180761

mVOC Specific Details

Boiling Point	Degree Reference 139 median
MS-Links	MS-MS Spectrum 130334 MS-MS Spectrum 71629 MS-MS Spectrum 130333 MS-MS Spectrum 71630 MS-MS Spectrum 71628 MS-MS Spectrum 130332

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Actinomycetes Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Salinispora Tropica na marine sediment Groenhagen et al. 2016 Prokaryota Clostridium Difficile outbreak 2006 UK Rees et al. 2016
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Actinomycetes Sp. n/a n/a no Prokaryota Salinispora Tropica seawater-based A1 GC/MS no Prokaryota Clostridium Difficile brain heart infusion GCxGC-TOF-MS yes