Results for:
PubChem ID: 74901

3-methylbutyl Pentanoate

Mass-Spectra

Compound Details

Synonymous names
Isoamyl valerate
2050-09-1
3-Methylbutyl pentanoate
Isopentyl valerate
Isopentyl pentanoate
Pentanoic acid, 3-methylbutyl ester
3-Methylbutyl valerate
Valeric acid, 3-methylbutyl ester
iso-Amyl N-valerate
7HQJ459H95
NSC-7006
Valeric Acid Isoamyl Ester
Irishmoss
Isopentyl pentanoate #
starbld0016507
Isopentyl valerate, 8CI
ISOAMYL N-VALERATE
Valeric Acid Isopentyl Ester
UNII-7HQJ459H95
3-Methylbutyl pentanoate, 9CI
SCHEMBL1305063
(3-methyl-1-butyl) pentanoate
DTXSID70174484
NSC7006
CHEBI:179541
ISOPENTYL ALCOHOL, VALERATE
CAA05009
NSC 7006
EINECS 218-081-8
3-METHYL-1-BUTYL N-VALERATE
LMFA07010762
MFCD00085198
VALERIC ACID, ISOPENTYL ESTER
AKOS028108467
AI3-24391
DB-252535
I0897
NS00012667
D91212
Q27268318
Microorganism:

Yes

IUPAC name3-methylbutyl pentanoate
SMILESCCCCC(=O)OCCC(C)C
InchiInChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3
FormulaC10H20O2
PubChem ID74901
Molweight172.26
LogP3.2
Atoms12
Bonds7
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID179541
Supernatural-IDSN0365880

mVOC Specific Details

Boiling Point
DegreeReference
185 median
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus ClavatusNADickschat et al. 2018
EukaryotaCandida SakeKing George Island, South Shetland Islands, AntarcticaArrarte et al. 2017
Saccharomyces CerevisiaePeng et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus Clavatusmedium 129CLSA-GCMSno
EukaryotaCandida SakeYeast Nitrogen base with 1% pectinSPME / GCMSno
Saccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno