(2S,5R)-5-Isopropyl-2-Methyl-3-Cyclohexen-1-One
[CAS# 244135-16-8]

Identification

• Name: (2S,5R)-5-Isopropyl-2-Methyl-3-Cyclohexen-1-One
• Synonyms: (2S,5R)-5-isopropyl-2-methylcyclohex-3-enone
• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.23
• CAS Registry Number: 244135-16-8
• SMILES: C[C@H]1C=C[C@H](CC1=O)C(C)C
• InChI: 1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-5,7-9H,6H2,1-3H3/t8-,9+/m0/s1
• InChIKey: RRLYQERZLQXIKZ-DTWKUNHWSA-N

Properties

• Density: 0.904g/cm³ (Cal.)
• Boiling point: 212.942°C at 760 mmHg (Cal.)
• Flash point: 77.435°C (Cal.)
• Refractive index: 1.458 (Cal.)