(3aR,7S,7aS)-7-Ethoxy-5,5-dimethylhexahydro-1-benzofuran-2(3H)-one
[CAS# 608529-29-9]

Identification

• Name: (3aR,7S,7aS)-7-Ethoxy-5,5-dimethylhexahydro-1-benzofuran-2(3H)-one
• Synonyms: (3aR,7S,7aS)-7-ethoxy-5,5-dimethylhexahydrobenzofuran-2(3H)-one
• Molecular Formula: C₁₂H₂₀O₃
• Molecular Weight: 212.29
• CAS Registry Number: 608529-29-9
• SMILES: CCO[C@H]1CC(C[C@H]2[C@@H]1OC(=O)C2)(C)C
• InChI: 1S/C12H20O3/c1-4-14-9-7-12(2,3)6-8-5-10(13)15-11(8)9/h8-9,11H,4-7H2,1-3H3/t8-,9-,11-/m0/s1
• InChIKey: MNUVGYJNCCLUDF-QXEWZRGKSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 317.8±25.0°C at 760 mmHg (Cal.)
• Flash point: 130.3±17.8°C (Cal.)
• Refractive index: 1.479 (Cal.)