3-Methylhexahydro-1-Benzofuran-2(3H)-One
[CAS# 2205-25-6]

Identification

• Name: 3-Methylhexahydro-1-Benzofuran-2(3H)-One
• Synonyms: 3.-Methyl-hexahydrophthalide (trans, cis); 3-Methylhexahydro-1-benzofuran-2(3H)-one #; 3-Methyl-hexahydrophthalide
• Molecular Formula: C₉H₁₄O₂
• Molecular Weight: 154.21
• CAS Registry Number: 2205-25-6
• SMILES: O=C1OC2CCCCC2C1C
• InChI: 1S/C9H14O2/c1-6-7-4-2-3-5-8(7)11-9(6)10/h6-8H,2-5H2,1H3
• InChIKey: YBWKITXSXPBILI-UHFFFAOYSA-N

Properties

• Density: 1.04g/cm³ (Cal.)
• Boiling point: 265.244°C at 760 mmHg (Cal.)
• Flash point: 105.069°C (Cal.)
• Refractive index: 1.47 (Cal.)