5-Phenyl-2-Oxepanone
[CAS# 134339-50-7]

Identification

• Name: 5-Phenyl-2-Oxepanone
• Synonyms: ¦Ã-Phenyl-¦Å-caprolactone; 4-Phenyl-e-caprolactone
• Molecular Formula: C₁₂H₁₄O₂
• Molecular Weight: 190.24
• CAS Registry Number: 134339-50-7
• SMILES: C1CC(=O)OCCC1C2=CC=CC=C2
• InChI: 1S/C12H14O2/c13-12-7-6-11(8-9-14-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2
• InChIKey: BCVOCJHUBCSGHB-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 354.5±31.0°C at 760 mmHg (Cal.)
• Flash point: 147.9±22.2°C (Cal.)
• Refractive index: 1.524 (Cal.)

References

• (1): María Yolanda Ríos, Enrique Salazar and Horacio F. Olivo. Baeyer–Villiger oxidation of substituted cyclohexanones via lipase-mediated perhydrolysis utilizing urea–hydrogen peroxide in ethyl acetate, Green Chem., 2007, 9, 459.