(1S,2S,5S)-5-Isopropenyl-2-methylcyclohexyl 3-methylbutanoate
[CAS# 93892-05-8]

Identification

• Name: (1S,2S,5S)-5-Isopropenyl-2-methylcyclohexyl 3-methylbutanoate
• Synonyms: (1α,2β,5α)-5-isopropenyl-2-methylcyclohexyl isovalerate
• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37
• CAS Registry Number: 93892-05-8
• EINECS: 299-485-1
• SMILES: O=C(O[C@H]1C[C@H](CC[C@@H]1C)C(C)=C)CC(C)C
• InChI: 1S/C15H26O2/c1-10(2)8-15(16)17-14-9-13(11(3)4)7-6-12(14)5/h10,12-14H,3,6-9H2,1-2,4-5H3/t12-,13-,14-/m0/s1
• InChIKey: HCPAIAFKHZTLIH-IHRRRGAJSA-N

Properties

• Density: 0.923g/cm³ (Cal.)
• Boiling point: 292.137°C at 760 mmHg (Cal.)
• Flash point: 122.871°C (Cal.)