(3R,3aS,4R,7aR)-3-Ethoxy-2,4-Dimethyl-2,3,3A,4,7,7A-Hexahydro-1H-Isoindol-1-One
[CAS# 116072-11-8]

Identification

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