Results for:
PubChem ID: 550334

2-heptyl-6-methyl-1,3-dioxan-4-one

Compound Details

Synonymous names
CQFQJBVIUHQQMR-UHFFFAOYSA-N
1,3-Dioxan-4-one, 2-heptyl-6-methyl
2-Heptyl-6-methyl-1,3-dioxan-4-one #
Microorganism:

Yes

IUPAC name2-heptyl-6-methyl-1,3-dioxan-4-one
SMILESCCCCCCCC1OC(CC(=O)O1)C
InchiInChI=1S/C12H22O3/c1-3-4-5-6-7-8-12-14-10(2)9-11(13)15-12/h10,12H,3-9H2,1-2H3
FormulaC12H22O3
PubChem ID550334
Molweight214.3
LogP3.7
Atoms15
Bonds6
H-bond Acceptor3
H-bond Donor0
Chemical Classificationesters dioxanes heterocyclic compounds ethers

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