3-Phenyl-3a,4,5,6,7,7alpha-Hexahydro-3H-Benzofuran-2-One
[CAS# 54491-21-3]

Identification

• Name: 3-Phenyl-3a,4,5,6,7,7alpha-Hexahydro-3H-Benzofuran-2-One
• Synonyms: 3-Phenyl-3A,4,5,6,7,7A-Hexahydro-3H-Benzofuran-2-One; Nsc50146
• Molecular Formula: C₁₄H₁₆O₂
• Molecular Weight: 216.28
• CAS Registry Number: 54491-21-3
• SMILES: C3=C(C1C2C(OC1=O)CCCC2)C=CC=C3
• InChI: 1S/C14H16O2/c15-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-3,6-7,11-13H,4-5,8-9H2
• InChIKey: NHZLOUXGQVISND-UHFFFAOYSA-N

Properties

• Density: 1.124g/cm³ (Cal.)
• Boiling point: 387.638°C at 760 mmHg (Cal.)
• Flash point: 163.008°C (Cal.)