(5S,7S)-7-Isopropyl-5-Methyl-2-Oxepanone
[CAS# 213899-39-9]

Identification

• Name: (5S,7S)-7-Isopropyl-5-Methyl-2-Oxepanone
• Synonyms: (5S,7S)-7-isopropyl-5-methyloxepan-2-one
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25
• CAS Registry Number: 213899-39-9
• SMILES: C[C@H]1CCC(=O)O[C@@H](C1)C(C)C
• InChI: 1S/C10H18O2/c1-7(2)9-6-8(3)4-5-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
• InChIKey: XZERQJDCGAVNJP-IUCAKERBSA-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.)