2,2-Dimethyl-4-Oxo-4-Phenylbutanoic Acid
[CAS# 15116-34-4]

Identification

• Name: 2,2-Dimethyl-4-Oxo-4-Phenylbutanoic Acid
• Synonyms: 2,2-Dimethyl-3-benzoyl-propionic acid; 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid #; 2,2-Dimethyl-4-oxo-4-phenylbutyric acid
• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.24
• CAS Registry Number: 15116-34-4
• SMILES: O=C(c1ccccc1)CC(C(=O)O)(C)C
• InChI: 1S/C12H14O3/c1-12(2,11(14)15)8-10(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,15)
• InChIKey: IGOADEDHOFTRIG-UHFFFAOYSA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 364.574°C at 760 mmHg (Cal.)
• Flash point: 188.473°C (Cal.)
• Refractive index: 1.533 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE