[1R-(1alpha,2beta,5alpha)]-2-Isopropenyl-5-Methylcyclohexyl Isovalerate
[CAS# 28221-20-7]

Identification

• Name: [1R-(1alpha,2beta,5alpha)]-2-Isopropenyl-5-Methylcyclohexyl Isovalerate
• Synonyms: [(1R,2S,5R)-2-Isopropyl-5-Methyl-Cyclohexyl] 3-Methylbutanoate; 3-Methylbutanoic Acid [(1R,2S,5R)-2-Isopropyl-5-Methylcyclohexyl] Ester; 3-Methylbutyric Acid [(1R,2S,5R)-2-Isopropyl-5-Methyl-Cyclohexyl] Ester
• Molecular Formula: C₁₅H₂₈O₂
• Molecular Weight: 240.39
• CAS Registry Number: 28221-20-7
• EINECS: 248-911-4
• SMILES: [C@@H]1([C@H](OC(CC(C)C)=O)C[C@H](C)CC1)C(C)C
• InChI: 1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3/t12-,13+,14-/m1/s1
• InChIKey: VYQSSWZYPCCBRN-HZSPNIEDSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 269.5±8.0°C at 760 mmHg (Cal.)
• Flash point: 124.1±6.0°C (Cal.)