3-[(2S,3R)-3-Ethyl-2-oxiranyl]-1H-isochromen-1-one
[CAS# 653597-82-1]

Identification

• Name: 3-[(2S,3R)-3-Ethyl-2-oxiranyl]-1H-isochromen-1-one
• Synonyms: 3-((2S,3R)-3-ethyloxiran-2-yl)-1H-isochromen-1-one
• Molecular Formula: C₁₃H₁₂O₃
• Molecular Weight: 216.23
• CAS Registry Number: 653597-82-1
• SMILES: CC[C@@H]1[C@H](O1)C2=CC3=CC=CC=C3C(=O)O2
• InChI: 1S/C13H12O3/c1-2-10-12(15-10)11-7-8-5-3-4-6-9(8)13(14)16-11/h3-7,10,12H,2H2,1H3/t10-,12+/m1/s1
• InChIKey: VNEONZFLGNRQJT-PWSUYJOCSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 350.6±42.0°C at 760 mmHg (Cal.)
• Flash point: 145.8±22.5°C (Cal.)
• Refractive index: 1.595 (Cal.)