(2S,3R)-2-Acetyl-3-Methyl-4-Cyclohepten-1-One
[CAS# 166825-82-7]

Identification

• Name: (2S,3R)-2-Acetyl-3-Methyl-4-Cyclohepten-1-One
• Synonyms: (2S,3R)-2-acetyl-3-methylcyclohept-4-enone
• Molecular Formula: C₁₀H₁₄O₂
• Molecular Weight: 166.22
• CAS Registry Number: 166825-82-7
• SMILES: C[C@@H]1C=CCCC(=O)[C@@H]1C(=O)C
• InChI: 1S/C10H14O2/c1-7-5-3-4-6-9(12)10(7)8(2)11/h3,5,7,10H,4,6H2,1-2H3/t7-,10+/m1/s1
• InChIKey: ZNUQBVMQPADNQM-XCBNKYQSSA-N

Properties

• Density: 1.006g/cm³ (Cal.)
• Boiling point: 269.998°C at 760 mmHg (Cal.)
• Flash point: 100.057°C (Cal.)
• Refractive index: 1.468 (Cal.)