| 2D Structure | |
| CID | 23235 |
| Target | CYP1A2 , LOC116160065 |
| IUPAC Name | hexyl benzoate |
| InChI | InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChI Key | UUGLJVMIFJNVFH-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCOC(=O)C1=CC=CC=C1 |
| Isomeric SMILES | CCCCCCOC(=O)C1=CC=CC=C1 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.28 |
| synonyms | ['Hexyl benzoate', 'Benzoic acid, hexyl ester', 'N-HEXYL BENZOATE', 'Benzoic acid n-hexyl ester', 'Hexylbenzoate', 'Benzoic Acid Hexyl Ester', 'HSDB 6031', 'UNII-VR3C36EKJR', 'EINECS 229-856-5', 'BRN 2048117', 'DTXSID9025403', 'AI3-02064', 'HEXYL BENZOATE [FHFI]', 'DTXCID505403', 'N-HEXYL BENZOATE [HSDB]', 'FEMA 3691', '4-09-00-00293 (Beilstein Handbook Reference)', 'nHexylbenzoate', 'NHexyl benzoate', '1Hexyl benzoate', 'Hexyl benzoic acid', 'HEXYL ALCOHOL, BENZOATE', '229-856-5', 'uugljvmifjnvfh-uhfffaoysa-n', '6789-88-4', 'n-Hexylbenzoate', '1-Hexyl benzoate', 'Hexylester kyseliny benzoove', 'FEMA No. 3691', 'VR3C36EKJR', 'Hexylester kyseliny benzoove [Czech]', 'Hexyl benzoate, FG', 'MFCD00051714', 'CBDivE_016251', 'SCHEMBL112029', 'CHEMBL2260717', 'CHEBI:165206', 'Tox21_302347', 'AKOS022423753', 'CS-W015313', 'NCGC00255207-01', 'BS-17334', 'CAS-6789-88-4', 'B1076', 'NS00012598', 'D70294', 'Q27291980'] |
From Pubchem