| 2D Structure | |
| CID | 8294 |
| Target | CYP2C19 , CYP2C9 , CYP3A4 |
| IUPAC Name | 3,7-dimethylocta-1,6-dien-3-yl acetate |
| InChI | InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 |
| InChI Key | UWKAYLJWKGQEPM-UHFFFAOYSA-N |
| Canonical SMILES | CC(=CCCC(C)(C=C)OC(=O)C)C |
| Isomeric SMILES | CC(=CCCC(C)(C=C)OC(=O)C)C |
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.29 |
| synonyms | ['LINALYL ACETATE', '115-95-7', 'Linalool acetate', 'Bergamiol', 'Bergamol', 'Lynalyl acetate', 'Linalol acetate', 'Licareol acetate', 'Acetic acid linalool ester', '3,7-Dimethyl-1,6-octadien-3-yl acetate', '1,6-Octadien-3-ol, 3,7-dimethyl-, acetate', '3,7-Dimethyl-1,6-octadien-3-ol acetate', 'Ex bois de rose (synthetic)', 'FEMA No. 2636', 'Linalyl acetate (natural)', 'NSC 2138', 'HSDB 644', 'EINECS 204-116-4', 'EINECS 254-806-4', 'UNII-5K47SSQ51G', '5K47SSQ51G', '3,7-Dimethyl-1,6-ctadien-3-ol acetate', 'DTXSID7026946', 'AI3-00941', 'NSC-2138', '(1)-1,5-Dimethyl-1-vinylhex-4-enyl acetate', 'LINALOOL ACETATE, DL-', 'DTXCID006946', 'EC 204-116-4', 'LINALYL ACETATE (USP-RS)', 'LINALYL ACETATE [USP-RS]', 'CHEBI:6469', 'rac-3,7-dimethylocta-1,6-dien-3-yl acetate', '(+-)-3,7-dimethylocta-1,6-dien-3-yl acetate', 'UNII: 5K47SSQ51G', 'LINALYL ACETATE, (+-)-', 'LINALOYL ACETATE, (+-)-', '1,5-Dimethyl-1-vinylhex-4-enyl acetate', 'Salvia desoleana Atzei & Picci essential oil.', "Flavor and Extract Manufacturers' Association No. 2636", '204-116-4', '3,7-dimethylocta-1,6-dien-3-yl acetate', '1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate', 'Phanteine', 'Dehydrolinalool, acetate', 'MFCD00008907', 'CHEBI:78333', '1,5-Dimethyl-1-vinyl-4-hexenyl acetate', '1,5-dimethyl-1-vinylhex-4-en-1-yl acetate', 'Aetic Acid Linalool Ester', 'CAS-115-95-7', 'LINALYL ACETATE SYNTHETIC', '(+)-1,5-Dimethyl-1-vinylhex-4-enyl acetate', '(+-)-Linalyl acetate', 'Acetic acid-linalyl ester', 'linaloyl acetate', '(-)-S-Linalyl acetate', '(+/-)-linalyl acetate', '(1,5-dimethyl-1-vinyl-hex-4-enyl) acetate', 'Linalyl acetate (Standard)', '3,6-octadien-3-ol acetate', '3,6-octadien-3-yl acetate', 'SCHEMBL58028', '(.+/-.)-Linalyl acetate', 'LINALYL ACETATE [MI]', 'Linalyl acetate Ex Petitgrain', 'LINALYL ACETATE [FCC]', 'Linalyl acetate Synthetic FCC', '1, 3,7-dimethyl-, acetate', 'LINALYL ACETATE [FHFI]', 'LINALYL ACETATE [HSDB]', 'CHEMBL502773', 'WLN: 1Y&U3Y1U1OV1', 'FEMA 2636', 'HY-N6948R', 'NSC2138', 'Linalyl acetate, natural, >=80%', 'HY-N6948', 'LINALYL ACETATE, (+/-)-', 'Linalyl acetate, analytical standard', 'Tox21_201306', 'Tox21_303134', 'LINALOYL ACETATE, (+/-)-', 'AKOS015901735', 'Linalyl acetate, >=97%, FCC, FG', 'CS-W010587', '3,7-dimethyl-1,6octadien-3-yl acetate', 'NCGC00164001-01', 'NCGC00164001-02', 'NCGC00257047-01', 'NCGC00258858-01', 'AC-20000', 'BS-49383', 'FL156882', 'L0049', 'NS00010320', '3,7-Dimethyl-acetate(3R)-1,6-Octadien-3-ol', 'E80781', '1,6-Octadien-3-ol, 3, 7-dimethyl-, acetate', '3,7-Dimethyl-1,6-octadien-3-yl acetate, 97%', 'EN300-7444436', '3,7-Dimethyl-3-acetate(3R)-1,6-Octadien-3-ol', 'Q188314', 'Z1255415454', 'Acetic acid-linalyl ester 1000 microg/mL in Acetonitrile'] |
From Pubchem