(1S,2S,5S)-5-Isopropenyl-2-methylcyclohexyl butyrate
[CAS# 93892-03-6]

Identification

• Name: (1S,2S,5S)-5-Isopropenyl-2-methylcyclohexyl butyrate
• Synonyms: (1α,2β,5α)-2-methyl-5-(1-methylvinyl)cyclohexyl butyrate
• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.34
• CAS Registry Number: 93892-03-6
• EINECS: 299-483-0
• SMILES: O=C(O[C@H]1C[C@H](CC[C@@H]1C)C(C)=C)CCC
• InChI: 1S/C14H24O2/c1-5-6-14(15)16-13-9-12(10(2)3)8-7-11(13)4/h11-13H,2,5-9H2,1,3-4H3/t11-,12-,13-/m0/s1
• InChIKey: AQCLKGPUNWCCQN-AVGNSLFASA-N

Properties

• Density: 0.93g/cm³ (Cal.)
• Boiling point: 279.158°C at 760 mmHg (Cal.)
• Flash point: 114.745°C (Cal.)