| 2D Structure | |
| CID | 61098 |
| Target | CYP2C19 , CYP2C9 , CYP3A4 |
| IUPAC Name | 3,7-dimethylocta-1,6-dien-3-yl propanoate |
| InChI | InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3 |
| InChI Key | WAQIIHCCEMGYKP-UHFFFAOYSA-N |
| Canonical SMILES | CCC(=O)OC(C)(CCC=C(C)C)C=C |
| Isomeric SMILES | CCC(=O)OC(C)(CCC=C(C)C)C=C |
| Molecular Formula | C13H22O2 |
| Molecular Weight | 210.31 |
| synonyms | ['Linalyl propionate', '3,7-dimethylocta-1,6-dien-3-yl propanoate', '1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, PROPANOATE', '1,6-Octadien-3-ol, 3,7-dimethyl-, 3-propanoate', 'Linalyl n-propionate', 'EINECS 205-627-5', 'EINECS 305-130-4', '3,7-Dimethyl-1,6-octadien-3-yl propionate', 'NSC 46139', 'UNII-BI845A018T', 'DTXSID1047574', 'AI3-24353', 'NSC-46139', 'DTXCID9027574', 'LINALYL PROPIONATE [FCC]', 'FEMA 2645', 'LINALYL PROPIONATE [FHFI]', '1,5-Dimethyl-1-vinyl-4-hexenyl propionate', 'Linalyl propionic acid', '(+-)-LINALYL PROPIONATE', '3,7-Dimethylocta-1,6-dien-3-yl propanoic acid', '205-627-5', 'waqiihccemgykp-uhfffaoysa-n', '144-39-8', 'Linalyl propanoate', 'Linalool propionate', '1,6-Octadien-3-ol, 3,7-dimethyl-, propionate', 'Propionic acid, linalyl ester', 'FEMA No. 2645', '3,7-dimethylocta-1,6-dien-3-yl propionate', '3,7-Dimethyl-1,6-octadien-3-ol propanoate', '3,7-Dimethyl-1,6-octadien-3-yl propanoate', '(1)-1,5-Dimethyl-1-vinylhex-4-enyl propionate', 'BI845A018T', 'Propionic Acid Linalyl Ester', 'MFCD00048607', 'Propionic acid, linalyl ester (6CI)', 'SCHEMBL538489', 'CHEMBL3186660', '1, 3,7-dimethyl-, propanoate', '1, 3,7-dimethyl-, propionate', 'CHEBI:174062', '1,6-Octadien-3-ol, 3,7-dimethyl-, propionate (7CI,8CI)', '(+/-)-LINALYL PROPIONATE', 'NSC46139', 'Tox21_302590', 'BBL028020', 'STL372904', 'AKOS015955727', 'Linalyl propionate, >=95%, FCC, FG', 'NCGC00256878-01', 'CAS-144-39-8', 'VS-08647', 'DB-042731', 'CS-0318525', 'L0265', 'NS00012799', '1,5-Dimethyl-1-vinyl-4-hexenyl propionate #', 'D91259', 'Q27274686'] |
From Pubchem