(3S,3aR,7R,7aS)-3-Ethoxy-2,7-Dimethyl-2,3,3A,4,7,7A-Hexahydro-1H-Isoindol-1-One
[CAS# 116072-09-4]

Identification

• Name: (3S,3aR,7R,7aS)-3-Ethoxy-2,7-Dimethyl-2,3,3A,4,7,7A-Hexahydro-1H-Isoindol-1-One
• Molecular Formula: C₁₂H₁₉NO₂
• Molecular Weight: 209.28
• CAS Registry Number: 116072-09-4
• SMILES: CCO[C@H]1[C@@H]2CC=C[C@H]([C@@H]2C(=O)N1C)C
• InChI: 1S/C12H19NO2/c1-4-15-12-9-7-5-6-8(2)10(9)11(14)13(12)3/h5-6,8-10,12H,4,7H2,1-3H3/t8-,9-,10+,12+/m1/s1
• InChIKey: WICNMHVGNGNOEE-SVDPJWKOSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 322.6±42.0°C at 760 mmHg (Cal.)
• Flash point: 148.9±27.9°C (Cal.)
• Refractive index: 1.518 (Cal.)