(3aR,4S,7S,7aS)-7-Ethyl-4-(2-Hydroxyethyl)-3A,4,7,7A-Tetrahydro-1-Benzofuran-2(3H)-One
[CAS# 592526-42-6]

Identification

• Name: (3aR,4S,7S,7aS)-7-Ethyl-4-(2-Hydroxyethyl)-3A,4,7,7A-Tetrahydro-1-Benzofuran-2(3H)-One
• Synonyms: (3aR,4S,7S,7aS)-7-ethyl-4-(2-hydroxyethyl)-3a,4,7,7a-tetrahydrobenzofuran-2(3H)-one
• Molecular Formula: C₁₂H₁₈O₃
• Molecular Weight: 210.27
• CAS Registry Number: 592526-42-6
• SMILES: CC[C@H]1C=C[C@@H]([C@@H]2[C@H]1OC(=O)C2)CCO
• InChI: 1S/C12H18O3/c1-2-8-3-4-9(5-6-13)10-7-11(14)15-12(8)10/h3-4,8-10,12-13H,2,5-7H2,1H3/t8-,9+,10+,12-/m0/s1
• InChIKey: YWYRSEJJYMIUBS-XNDJQWLSSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 373.3±42.0°C at 760 mmHg (Cal.)
• Flash point: 161.0±20.7°C (Cal.)
• Refractive index: 1.493 (Cal.)