| 2D Structure | |
| CID | 8835 |
| Target | CYP1A2 , CYP2C9 , CYP3A4 |
| IUPAC Name | 3,7-dimethyloct-6-enyl butanoate |
| InChI | InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3 |
| InChI Key | XQPZQXTWYZAXAK-UHFFFAOYSA-N |
| Canonical SMILES | CCCC(=O)OCCC(C)CCC=C(C)C |
| Isomeric SMILES | CCCC(=O)OCCC(C)CCC=C(C)C |
| Molecular Formula | C14H26O2 |
| Molecular Weight | 226.35 |
| synonyms | ['Citronellyl butyrate', '141-16-2', 'Butanoic acid, 3,7-dimethyl-6-octen-1-yl ester', 'Citronellyl butanoate', 'Butanoic acid, 3,7-dimethyl-6-octenyl ester', '3,7-dimethyloct-6-en-1-yl butanoate', '3,7-Dimethyl-6-octenyl butanoate', 'Butyric acid, ester with citronellol', 'FEMA No. 2312', '2,6-Dimethyl-2-octen-8-yl butyrate', '3,7-Dimethyl-6-octen-1-yl butyrate', 'Butyric acid, 3,7-dimethyl-6-octenyl ester', '2,6-Dimethyl-2-octen-8-ol, butyrate', '3,7-Dimethyl-6-octenyl butyrate', 'NSC 46147', 'Citronellyl butyrate (natural)', '(1)-3,7-Dimethyloct-6-enyl butyrate', '6-OCTEN-1-OL, 3,7-DIMETHYL-, BUTYRATE', 'EINECS 205-463-4', 'EINECS 278-467-7', 'IY68QPD54V', 'BRN 1707201', 'DTXSID5047405', 'AI3-24200', 'NSC-46147', 'DTXCID3027405', 'CITRONELLYL BUTYRATE [FCC]', 'CITRONELLYL BUTYRATE [FHFI]', '2-02-00-00248 (Beilstein Handbook Reference)', 'Butyric acid, 3,7-dimethyl-6-octenyl ester (8CI)', '(+-)-CITRONELLYL BUTYRATE', 'CITRONELLYL BUTYRATE, (+-)-', '205-463-4', 'Citronellyl n-butyrate', '3,7-dimethyloct-6-enyl butanoate', '3,7-dimethyloct-6-en-1-yl butyrate', 'UNII-IY68QPD54V', '2, butyrate', 'SCHEMBL310496', 'CHEMBL3185221', 'FEMA 2312', 'CHEBI:171871', 'NSC46147', 'WLN: 3VO2Y1&3UY1&1', '(+/-)-CITRONELLYL BUTYRATE', 'Tox21_302488', 'Citronellyl butyrate, FCC, >=90%', 'LMFA07010814', 'MFCD00036581', '6-Octen-1-ol,7-dimethyl-, butyrate', 'CITRONELLYL BUTYRATE, (+/-)-', 'Butyric acid,7-dimethyl-6-octenyl ester', 'NCGC00256871-01', 'Butanoic acid,7-dimethyl-6-octenyl ester', 'CAS-141-16-2', 'E275', 'DB-254258', 'CS-0223859', 'NS00012110', 'G20119', 'Citronellyl butyrate, natural (US), >=85%, FG', 'EN300-11686336', 'Q27280949', 'Z2044751985'] |
From Pubchem