Results for:
PubChem ID: 8834

3,7-dimethyloct-6-enyl Propanoate

Mass-Spectra

Compound Details

Synonymous names
Citronellyl propionate
141-14-0
Citronellyl propanoate
6-Octen-1-ol, 3,7-dimethyl-, propanoate
3,7-dimethyloct-6-enyl propanoate
6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate
3,7-Dimethyl-6-octen-1-yl propionate
6-Octen-1-ol, 3,7-dimethyl-, propionate
FEMA No. 2316
3,7-Dimethyl-6-octen-1-ol propanoate
3,7-Dimethyl-6-octen-1-yl propanoate
3,7-Dimethyloct-6-en-1-yl propionate
(1)-3,7-Dimethyloct-6-enyl propionate
Citronellyl propianoate
Citronellyl n-proprionate
Propionic acid, ester with citronellol
DTXSID8047187
87R1092U7J
3,7-dimethyloct-6-en-1-yl propanoate
94086-40-5
(+)-3,7-Dimethyloct-6-enyl propionate
Citronellyl propionate (natural)
EINECS 205-461-3
EINECS 278-466-1
AI3-24358
UNII-87R1092U7J
Propionic acid, ester with citronellol (6CI)
SCHEMBL396918
6-Octen-1-ol, 3,7-dimethyl-, propionate (7CI,8CI)
CHEMBL3185956
DTXCID6027187
FEMA 2316
CHEBI:171788
3,7-dimethyloct-6-enyl propionate
3,7-Dimethyl-6-octenyl propionate
CITRONELLYL PROPIONATE [FCC]
EINECS 301-827-2
Tox21_302679
CITRONELLYL PROPIONATE [FHFI]
LMFA07010820
(+/-)-CITRONELLYL PROPIONATE
3,7-Dimethyl-6-octenyl propionate #
3,7-Dimethyloct-6-en-1-ylpropionate
AKOS015910710
MCULE-9460712409
CITRONELLYL PROPIONATE, (+/-)-
NCGC00256674-01
AS-76187
CAS-141-14-0
E410
6-Octen-1-ol,3,7-dimethyl-,1-propanoate
Citronellyl propionate, >=95%, FCC, FG
DB-042554
NS00012118
E79168
Q27269839
Microorganism:

Yes

IUPAC name3,7-dimethyloct-6-enyl propanoate
SMILESCCC(=O)OCCC(C)CCC=C(C)C
InchiInChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3
FormulaC13H24O2
PubChem ID8834
Molweight212.33
LogP4.2
Atoms15
Bonds8
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters terpenes
CHEBI-ID171788
Supernatural-IDSN0291067

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