(3R,3aS,7aR)-3-Ethoxy-2,5-Dimethyl-2,3,3A,4,7,7A-Hexahydro-1H-Isoindol-1-One
[CAS# 116072-21-0]

Identification

• Name: (3R,3aS,7aR)-3-Ethoxy-2,5-Dimethyl-2,3,3A,4,7,7A-Hexahydro-1H-Isoindol-1-One
• Synonyms: (3R,3aS,7aR)-3-ethoxy-2,5-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-one
• Molecular Formula: C₁₂H₁₉NO₂
• Molecular Weight: 209.28
• CAS Registry Number: 116072-21-0
• SMILES: CCO[C@@H]1[C@H]2CC(=CC[C@H]2C(=O)N1C)C
• InChI: 1S/C12H19NO2/c1-4-15-12-10-7-8(2)5-6-9(10)11(14)13(12)3/h5,9-10,12H,4,6-7H2,1-3H3/t9-,10+,12-/m1/s1
• InChIKey: PWROLNVZFDTICI-JFGNBEQYSA-N

Properties

• Density: 1.077g/cm³ (Cal.)
• Boiling point: 326.741°C at 760 mmHg (Cal.)
• Flash point: 151.408°C (Cal.)
• Refractive index: 1.518 (Cal.)