Results for:
PubChem ID: 16255

3-methylbutyl Octanoate

Mass-Spectra

Compound Details

Synonymous names
Isopentyl octanoate
2035-99-6
Isoamyl octanoate
3-METHYLBUTYL OCTANOATE
Octanoic acid, 3-methylbutyl ester
Isoamyl caprylate
Octanoic acid, isopentyl ester
Isoamyl octylate
Isopentyl octylate
Isopentyl alcohol, octanoate
FEMA No. 2080
n-Caprylic acid isoamyl ester
iso-Amyl n-octanoate
Octanoic acid, isoamyl ester
Isoamyl n-Octanoate (contains 2-Methylbutyl n-Octanoate)
2EX40079OL
WE(4:0(3Me)/8:0)
Isoamyl octanoate (natural)
Isoamyl n-Octanoate
EINECS 218-004-8
BRN 1767760
octanoic acid isopentyl ester
UNII-2EX40079OL
AI3-01827
Isopentyl n-Octanoate
3-methylbutyloctanoate
SCHEMBL856632
n-Octanoic Acid Isoamyl Ester
CHEMBL4642968
DTXSID7062114
ISOAMYL OCTANOATE [FHFI]
CHEBI:87536
FEMA 2080
Isoamyl octanoate, >=98%, FG
Octanoic acid,3-methylbutyl ester
CAA03599
LMFA07010682
MFCD00048917
Isoamyl octanoate, analytical standard
OCTANOIC ACID, ISOPENTYL-ESTER
AKOS015899575
CS-W014922
HY-W014206
AS-61682
Isoamyl octanoate, natural, >=98%, FG
NS00012661
O0031
D91789
Q11735352
Microorganism:

Yes

IUPAC name3-methylbutyl octanoate
SMILESCCCCCCCC(=O)OCCC(C)C
InchiInChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
FormulaC13H26O2
PubChem ID16255
Molweight214.34
LogP4.8
Atoms15
Bonds10
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID87536
Supernatural-IDSN0432968

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida SakeKing George Island, South Shetland Islands, AntarcticaArrarte et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida SakeYeast Nitrogen base with 1% pectinSPME / GCMSno