(3S,4S)-3-Isopropenyl-4-Methyl-4-Vinyl-1-Cyclohexanone
[CAS# 41411-01-2]

Identification

• Name: (3S,4S)-3-Isopropenyl-4-Methyl-4-Vinyl-1-Cyclohexanone
• Synonyms: (3S,4R)-3-Isopropenyl-4-Methyl-4-Vinyl-Cyclohexan-1-One; (3S,4R)-3-Isopropenyl-4-Methyl-4-Vinyl-1-Cyclohexanone; (3S,4R)-4-Ethenyl-4-Methyl-3-Prop-1-En-2-Yl-Cyclohexan-1-One
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.27
• CAS Registry Number: 41411-01-2
• SMILES: [C@H]1(CC(CC[C@]1(C)C=C)=O)C(=C)C
• InChI: 1S/C12H18O/c1-5-12(4)7-6-10(13)8-11(12)9(2)3/h5,11H,1-2,6-8H2,3-4H3/t11-,12-/m0/s1
• InChIKey: TYUCDLXRFGFSBR-RYUDHWBXSA-N

Properties

• Density: 0.949g/cm³ (Cal.)
• Boiling point: 247.251°C at 760 mmHg (Cal.)
• Flash point: 95.561°C (Cal.)