(1alpha,2beta,5alpha)-5-(Isopropyl)-2-Methylcyclohexyl Acetate
[CAS# 5256-66-6]

Identification

• Name: (1alpha,2beta,5alpha)-5-(Isopropyl)-2-Methylcyclohexyl Acetate
• Synonyms: [(1R,2R,5R)-5-Isopropyl-2-Methyl-Cyclohexyl] Acetate; Acetic Acid [(1R,2R,5R)-5-Isopropyl-2-Methylcyclohexyl] Ester; Acetic Acid [(1R,2R,5R)-5-Isopropyl-2-Methyl-Cyclohexyl] Ester
• Molecular Formula: C₁₂H₂₂O₂
• Molecular Weight: 198.30
• CAS Registry Number: 5256-66-6
• EINECS: 226-058-9
• SMILES: [C@@H]1(OC(=O)C)C[C@@H](CC[C@H]1C)C(C)C
• InChI: 1S/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12-/m1/s1
• InChIKey: JAKFDYGDDRCJLY-YUSALJHKSA-N

Properties

• Density: 0.927g/cm³ (Cal.)
• Boiling point: 229.124°C at 760 mmHg (Cal.)
• Flash point: 94.449°C (Cal.)