935-69-3 Purity
97%
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Specification
The molecular formula of octyl benzoate is C15H22O2.
The molecular weight of octyl benzoate is 234.33 g/mol.
The IUPAC name of octyl benzoate is octyl benzoate.
The InChI of octyl benzoate is InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3.
The InChIKey of octyl benzoate is VECVSKFWRQYTAL-UHFFFAOYSA-N.
The canonical SMILES of octyl benzoate is CCCCCCCCOC(=O)C1=CC=CC=C1.
The CAS number of octyl benzoate is 94-50-8.
The European Community (EC) number of octyl benzoate is 202-339-1.
The ChEMBL ID of octyl benzoate is CHEMBL118062.
The XLogP3 value of octyl benzoate is 5.7.