4-(3-Oxobutyl)Phenyl Benzoate
[CAS# 94135-08-7]

Identification

• Name: 4-(3-Oxobutyl)Phenyl Benzoate
• Synonyms: Benzoic Acid [4-(3-Oxobutyl)Phenyl] Ester; Benzoic Acid [4-(3-Ketobutyl)Phenyl] Ester; 4-(3-Oxobutyl)Phenyl Benzoate
• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.31
• CAS Registry Number: 94135-08-7
• EINECS: 302-876-2
• SMILES: C1=CC(=CC=C1OC(=O)C2=CC=CC=C2)CCC(=O)C
• InChI: 1S/C17H16O3/c1-13(18)7-8-14-9-11-16(12-10-14)20-17(19)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3
• InChIKey: SGCBNKSLSODZJZ-UHFFFAOYSA-N

Properties

• Density: 1.138g/cm³ (Cal.)
• Boiling point: 406.557°C at 760 mmHg (Cal.)
• Flash point: 179.455°C (Cal.)