4-Benzoyl-3-Phenylbutyric Acid
[CAS# 5456-53-1]

Identification

• Name: 4-Benzoyl-3-Phenylbutyric Acid
• Synonyms: 5-Keto-3,5-Di(Phenyl)Valeric Acid; Nsc21520; Oprea1_169991
• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.31
• CAS Registry Number: 5456-53-1
• SMILES: C1=CC=CC=C1C(CC(O)=O)CC(=O)C2=CC=CC=C2
• InChI: 1S/C17H16O3/c18-16(14-9-5-2-6-10-14)11-15(12-17(19)20)13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,20)
• InChIKey: ZOKVLFUFXBUTKQ-UHFFFAOYSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 472.468°C at 760 mmHg (Cal.)
• Flash point: 253.653°C (Cal.)