Results for:
PubChem ID: 87789

Hexadecan-3-one

Mass-Spectra

Compound Details

Synonymous names
3-Hexadecanone
18787-64-9
hexadecan-3-one
Ethyl n-tridecyl ketone
NSC-158511
Ethyl tridecyl ketone
Cetan-3-one
EINECS 242-572-6
NSC158511
NSC 158511
U58JRT3EVM
3-Hexadecanone, >=99%
SCHEMBL966153
CHEMBL3273569
DTXSID4066412
CHEBI:179365
LMFA12000188
MFCD00048458
AKOS009158491
MCULE-9117802063
AS-56559
DB-044653
CS-0316386
H0565
NS00026142
D90903
J-012094
Q63409529
Microorganism:

Yes

IUPAC namehexadecan-3-one
SMILESCCCCCCCCCCCCCC(=O)CC
InchiInChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-15H2,1-2H3
FormulaC16H32O
PubChem ID87789
Molweight240.42
LogP6.7
Atoms17
Bonds13
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones
CHEBI-ID179365
Supernatural-IDSN0215018

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus AureusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaLasiodiplodia PseudotheobromaeNAOliveira et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusSodium chloride brothSPME, GC-MSno
EukaryotaLasiodiplodia Pseudotheobromaeno