3,6-Dimethyl-3A,4,5,7A-Tetrahydro-1-Benzofuran-2(3H)-One
[CAS# 57743-63-2]

Identification

• Name: 3,6-Dimethyl-3A,4,5,7A-Tetrahydro-1-Benzofuran-2(3H)-One
• Synonyms: 2(3H)-benzofuranone, 3,6-dimethyl-3a,4,5,7a-tetrahydro-; wine lactone
• Molecular Formula: C₁₀H₁₄O₂
• Molecular Weight: 166.22
• CAS Registry Number: 57743-63-2
• SMILES: O=C1OC2/C=C(\CCC2C1C)C
• InChI: 1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3
• InChIKey: NQWBFQXRASPNLB-UHFFFAOYSA-N

Properties

• Density: 1.042g/cm³ (Cal.)
• Boiling point: 286.295°C at 760 mmHg (Cal.)
• Flash point: 115.472°C (Cal.)