[1S-(1alpha,2beta,5alpha)]-5-(Isopropyl)-2-Methylcyclohexyl Acetate
[CAS# 51446-59-4]

Identification

• Name: [1S-(1alpha,2beta,5alpha)]-5-(Isopropyl)-2-Methylcyclohexyl Acetate
• Synonyms: [(1R,3S)-3-Isopropylcyclohexyl] Propanoate; Propanoic Acid [(1R,3S)-3-Isopropylcyclohexyl] Ester; Propionic Acid [(1R,3S)-3-Isopropylcyclohexyl] Ester
• Molecular Formula: C₁₂H₂₂O₂
• Molecular Weight: 198.30
• CAS Registry Number: 51446-59-4
• EINECS: 257-212-3
• SMILES: [C@H]1(C[C@H](OC(=O)CC)CCC1)C(C)C
• InChI: 1S/C12H22O2/c1-4-12(13)14-11-7-5-6-10(8-11)9(2)3/h9-11H,4-8H2,1-3H3/t10-,11+/m0/s1
• InChIKey: IJUBYICGZOWVOM-WDEREUQCSA-N

Properties

• Density: 0.93g/cm³ (Cal.)
• Boiling point: 233.501°C at 760 mmHg (Cal.)
• Flash point: 96.735°C (Cal.)