(3R,3aS,7aR)-3-Ethoxy-7,7-Dimethylhexahydro-2-Benzofuran-5(3H)-One
[CAS# 160262-59-9]

Identification

• Name: (3R,3aS,7aR)-3-Ethoxy-7,7-Dimethylhexahydro-2-Benzofuran-5(3H)-One
• Synonyms: (3R,3aS,7aR)-3-ethoxy-7,7-dimethylhexahydroisobenzofuran-5(3H)-one
• Molecular Formula: C₁₂H₂₀O₃
• Molecular Weight: 212.29
• CAS Registry Number: 160262-59-9
• SMILES: CCO[C@H]1[C@H]2CC(=O)CC([C@@H]2CO1)(C)C
• InChI: 1S/C12H20O3/c1-4-14-11-9-5-8(13)6-12(2,3)10(9)7-15-11/h9-11H,4-7H2,1-3H3/t9-,10+,11+/m0/s1
• InChIKey: WXXRZUXRKRIXTA-HBNTYKKESA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 296.257°C at 760 mmHg (Cal.)
• Flash point: 123.82°C (Cal.)
• Refractive index: 1.479 (Cal.)