| 2D Structure | |
| CID | 1549026 |
| Target | CYP2C19 , CYP2C9 , CYP3A4 |
| IUPAC Name | [(2E)-3,7-dimethylocta-2,6-dienyl] acetate |
| InChI | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+ |
| InChI Key | HIGQPQRQIQDZMP-DHZHZOJOSA-N |
| Canonical SMILES | CC(=CCCC(=CCOC(=O)C)C)C |
| Isomeric SMILES | CC(=CCC/C(=C/COC(=O)C)/C)C |
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.29 |
| synonyms | ['GERANYL ACETATE', '105-87-3', 'Geranyl ethanoate', 'Acetic acid, geraniol ester', 'trans-3,7-Dimethyl-2,6-octadien-1-yl acetate', 'Geranyl acetate A', '[(2E)-3,7-dimethylocta-2,6-dienyl] acetate', 'trans-Geraniol acetate', 'beta-Geranyl Acetate', 'NCI-C54728', 'trans-geranyl acetate', 'FEMA No. 2509', '2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-', 'CHEBI:5331', 'FEMA Number 2509', 'trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate', 'Geranyl acetate (natural)', 'NSC 2584', '3,7-Dimethyl-2-trans, 6-octadienyl acetate', 'UNII-3W81YG7P9R', 'CCRIS 877', '(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate', '(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate', '3W81YG7P9R', 'HSDB 586', 'DTXSID0020654', '(2E)-geranyl acetate', '2,6-Dimethyl-2,6-octadiene-8-yl acetate', '2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-', 'NSC-2584', 'EINECS 203-341-5', 'Acetic acid geraniol ester', 'trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate', 'BRN 1722815', '2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-', 'DTXCID80654', '3,7-Dimethyl-2,6-octadien-1-ol acetate', 'AI3-00207', 'EC 203-341-5', '4-02-00-00204 (Beilstein Handbook Reference)', '3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-', '2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-', 'geranoil acetate', 'trans-3,7-dimethyl-2,6-octadien-1-ol acetate', '3,7-dimethyl-2-trans,6-octadienyl acetate', '(E)-3,7-dimethyl-2,6-octadien-1-ol acetate', '3,7-DIMETHYL-2-TRANS-6-OCTADIENYL ACETATE', '2,6-OCTADIEN-1-OL,3,7-DIMETHYL-,ACETATE,(E)-', '203-341-5', 'Geraniol acetate', 'Acetic acid, geranyl ester', 'Meraneine', '3,7-dimethylocta-2,6-dien-1-yl acetate', 'MFCD00015037', '3,7-Dimethyloctyl acetate, tetradehydro derivative', 'trans-3,7-Dimethyl-2,6-octadienyl acetate', '68311-13-7', '2,6-Octadien-1-ol, 3,7-dimethyl-, acetate', 'b-Geranyl Acetate', '1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.', '3,7-Dimethyl-2E,6-octadienyl acetate', 'Geranyl acetate, cis-', '1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.', '3,7-Dimethyl-2,6-octadien-1-ylacetate', 'Geranyl acetate 100 microg/mL in Acetonitrile', '(E)-3,7-Dimethyl-2,6-octadien-1-yl acetate', '2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-', 'geranylacetat', 'CAS-105-87-3', 'geranylacetate', 'acetyl geraniol', 'Neryl acetate?', 'EINECS 269-749-0', 'Geranyl acetate, FCC', 'Nerol acetate (6CI)', '2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate', 'starbld0004670', 'acetic acid geranyl ester', '3, 6-octadienyl acetate', 'Geranyl acetate (Standard)', 'Geranyl acetate, >=97%', 'SCHEMBL56913', 'SCHEMBL56914', 'Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate', '8022-83-1', 'MLS002152904', 'GERANYL ACETATE [FCC]', 'GERANYL ACETATE [FHFI]', 'GERANYL ACETATE [HSDB]', 'Geranyl acetate, natural, FCC', 'CHEMBL1369384', 'CHEBI:88568', 'FEMA 2509', 'HY-N7070R', 'NSC2584', 'HMS2268G10', 'Geranyl acetate, mixture of isomers', 'HY-N7070', 'MSK40220', 'trans-3,6-octadien-1-ol, acetate', 'Geranyl acetate, analytical standard', 'Tox21_202089', 'Tox21_300355', 'WLN: 1Y & U3YU2OV1-T', 'BDBM50037025', 'LMFA07010189', 's5091', '2, 3,7-dimethyl-, acetate,(E)-', '2, 3,7-dimethyl-, acetate, trans-', 'AKOS015837938', '2, 3,7-dimethyl-, acetate, (E)-', 'CCG-266559', 'CS-W015698', 'NCGC00091394-01', 'NCGC00091394-02', 'NCGC00091394-03', 'NCGC00091394-04', 'NCGC00254482-01', 'NCGC00259638-01', '1ST40220', '33843-18-4', 'DA-70490', 'LS-14126', 'SMR000127400', '(Z)-3,7-Dimethyl-2,6-octadienyl acetate', '(2E)-3,7-Dimethyl-2,6-octadienyl acetate', '3,7-Dimethyl-2,6-octadien-1-ylacetic acid', 'G0028', 'NS00003036', '3,7-Dimethyl-acetate(E)-2,6-Octadien-1-ol', '(2E)-3,7-Dimethyl-2,6-octadienyl acetate #', '3,7-Dimethyl-acetate(2E)-2,6-Octadien-1-ol', '3,7-Dimethyl-acetate(2Z)-2,6-Octadien-1-ol', '3,7-Dimethyl-acetatetrans-2,6-Octadien-1-ol', 'C09861', 'cis-3,7-dimethyl-2,6-octadien-1-yl ethanoate', 'D70281', '[(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate', '3,7-Dimethyl-1-acetate(2E)-2,6-Octadien-1-ol', '3,7-Dimethyl-1-acetate(2Z)-2,6-Octadien-1-ol', 'Q426437', '2,6-Octadien-1-ol,3,7-dimethyl-,1-acetate,(2E)-', 'acetic acid trans-3,7-dimethyl-oct-2,6-dien-1-yl ester', 'Geranyl acetate, primary pharmaceutical reference standard', 'Geranyl acetate, food grade (71% geranyl acetate, 29% citronellyl acetate)', 'Sou'] |
From Pubchem