Results for:
PubChem ID: 551271

3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate

Compound Details

Synonymous names
3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate
Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester
74367-32-1
SCHEMBL23837107
SXNNFRPGPOKUEN-UHFFFAOYSA-N
2-(Hydroxymethyl)-1-propylbutyl 2-methylpropanoate #
Propanoic acid,2-methyl-,2-(hydroxymethyl)-1-propylbutyl ester
Microorganism:

Yes

IUPAC name3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate
SMILESCCCC(C(CC)CO)OC(=O)C(C)C
InchiInChI=1S/C12H24O3/c1-5-7-11(10(6-2)8-13)15-12(14)9(3)4/h9-11,13H,5-8H2,1-4H3
FormulaC12H24O3
PubChem ID551271
Molweight216.32
LogP2.9
Atoms15
Bonds8
H-bond Acceptor3
H-bond Donor1
Chemical Classificationesters alcohols

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno