(3R,3aS,7aR)-3-Ethoxy-2-(Hydroxymethyl)-2,3,3A,4,7,7A-Hexahydro-1H-Isoindol-1-One
[CAS# 172537-45-0]

Identification

• Name: (3R,3aS,7aR)-3-Ethoxy-2-(Hydroxymethyl)-2,3,3A,4,7,7A-Hexahydro-1H-Isoindol-1-One
• Synonyms: (3R,3aS,7aR)-3-ethoxy-2-(hydroxymethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-one
• Molecular Formula: C₁₁H₁₇NO₃
• Molecular Weight: 211.26
• CAS Registry Number: 172537-45-0
• SMILES: CCO[C@@H]1[C@H]2CC=CC[C@H]2C(=O)N1CO
• InChI: 1S/C11H17NO3/c1-2-15-11-9-6-4-3-5-8(9)10(14)12(11)7-13/h3-4,8-9,11,13H,2,5-7H2,1H3/t8-,9+,11-/m1/s1
• InChIKey: BTKVIVJKKTYLNB-WCABBAIRSA-N

Properties

• Density: 1.203g/cm³ (Cal.)
• Boiling point: 375.377°C at 760 mmHg (Cal.)
• Flash point: 180.822°C (Cal.)
• Refractive index: 1.551 (Cal.)