(4R,7S)-4-Isopropyl-7-methyl-2-oxepanone
[CAS# 613668-18-1]

Identification

• Name: (4R,7S)-4-Isopropyl-7-methyl-2-oxepanone
• Synonyms: (4R,7S)-4-isopropyl-7-methyloxepan-2-one
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25
• CAS Registry Number: 613668-18-1
• SMILES: C[C@H]1CC[C@H](CC(=O)O1)C(C)C
• InChI: 1S/C10H18O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
• InChIKey: GAOOEWLYQUUEST-DTWKUNHWSA-N

Properties

• Density: 0.926g/cm³ (Cal.)
• Boiling point: 248.326°C at 760 mmHg (Cal.)
• Flash point: 96.562°C (Cal.)
• Refractive index: 1.435 (Cal.)