(4R,5S)-4-Acetyl-3,5-Dimethyl-2-Cyclohexen-1-One
[CAS# 144890-08-4]

Identification

• Name: (4R,5S)-4-Acetyl-3,5-Dimethyl-2-Cyclohexen-1-One
• Synonyms: (4R,5S)-4-acetyl-3,5-dimethylcyclohex-2-enone
• Molecular Formula: C₁₀H₁₄O₂
• Molecular Weight: 166.22
• CAS Registry Number: 144890-08-4
• SMILES: C[C@H]1CC(=O)C=C([C@@H]1C(=O)C)C
• InChI: 1S/C10H14O2/c1-6-4-9(12)5-7(2)10(6)8(3)11/h4,7,10H,5H2,1-3H3/t7-,10-/m0/s1
• InChIKey: AHTHOKSCYQROLR-XVKPBYJWSA-N

Properties

• Density: 1.005g/cm³ (Cal.)
• Boiling point: 271.354°C at 760 mmHg (Cal.)
• Flash point: 100.605°C (Cal.)
• Refractive index: 1.468 (Cal.)