| 2D Structure | |
| CID | 8834 |
| Target | CYP1A2 , CYP2C19 , CYP2C9 , CYP3A4 , ESR1 |
| IUPAC Name | 3,7-dimethyloct-6-enyl propanoate |
| InChI | InChI=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 |
| InChI Key | POPNTVRHTZDEBW-UHFFFAOYSA-N |
| Canonical SMILES | CCC(=O)OCCC(C)CCC=C(C)C |
| Isomeric SMILES | CCC(=O)OCCC(C)CCC=C(C)C |
| Molecular Formula | C13H24O2 |
| Molecular Weight | 212.33 |
| synonyms | ['Citronellyl propionate', '141-14-0', 'Citronellyl propanoate', '6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate', '6-Octen-1-ol, 3,7-dimethyl-, propanoate', '6-Octen-1-ol, 3,7-dimethyl-, propionate', '3,7-Dimethyl-6-octen-1-yl propionate', 'FEMA No. 2316', 'Citronellyl propionate (natural)', '3,7-Dimethyl-6-octen-1-ol propanoate', '3,7-Dimethyl-6-octen-1-yl propanoate', '(1)-3,7-Dimethyloct-6-enyl propionate', 'EINECS 205-461-3', 'EINECS 278-466-1', 'Propionic acid, ester with citronellol', 'DTXSID8047187', 'AI3-24358', '87R1092U7J', '3,7-dimethyloct-6-en-1-yl propanoate', 'DTXCID6027187', 'Propionic acid, ester with citronellol (6CI)', 'CITRONELLYL PROPIONATE [FCC]', 'CITRONELLYL PROPIONATE [FHFI]', '6-Octen-1-ol, 3,7-dimethyl-, propionate (7CI,8CI)', '(+-)-CITRONELLYL PROPIONATE', 'CITRONELLYL PROPIONATE, (+-)-', '205-461-3', '141-40-0', '3,7-dimethyloct-6-enyl propanoate', '3,7-Dimethyloct-6-en-1-yl propionate', 'Citronellyl propianoate', 'Citronellyl n-proprionate', '(+)-3,7-Dimethyloct-6-enyl propionate', 'UNII-87R1092U7J', 'SCHEMBL396918', 'CHEMBL3185956', 'FEMA 2316', 'CHEBI:171788', '3,7-Dimethyl-6-octenyl propionate', 'EINECS 301-827-2', 'Tox21_302679', 'LMFA07010820', 'Citronellyl propionate, sum of esters', '(+/-)-CITRONELLYL PROPIONATE', '3,7-Dimethyl-6-octenyl propionate #', '3,7-Dimethyloct-6-en-1-ylpropionate', 'AKOS015910710', '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'] |
From Pubchem