4-Oxo-4-Phenyl-2-Butanyl Acetate
[CAS# 21999-97-3]

Identification

• Name: 4-Oxo-4-Phenyl-2-Butanyl Acetate
• Synonyms: 1-BUTANONE, 3-(ACETYLOXY)-1-PHENYL-, (3R)-
• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.24
• CAS Registry Number: 21999-97-3
• SMILES: O=C(c1ccccc1)CC(OC(=O)C)C
• InChI: 1S/C12H14O3/c1-9(15-10(2)13)8-12(14)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
• InChIKey: MPODLFKNAJBQES-UHFFFAOYSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 314.661°C at 760 mmHg (Cal.)
• Flash point: 136.911°C (Cal.)
• Refractive index: 1.504 (Cal.)