(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl octanoate
[CAS# 93940-59-1]

Identification

• Name: (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl octanoate
• Synonyms: (1α,2β,5α)-2-isopropyl-5-methylcyclohexyl octanoate
• Molecular Formula: C₁₈H₃₄O₂
• Molecular Weight: 282.46
• CAS Registry Number: 93940-59-1
• EINECS: 300-456-3
• SMILES: O=C(O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)CCCCCCC
• InChI: 1S/C18H34O2/c1-5-6-7-8-9-10-18(19)20-17-13-15(4)11-12-16(17)14(2)3/h14-17H,5-13H2,1-4H3/t15-,16+,17-/m0/s1
• InChIKey: YBENVMAMNHOPRF-BBWFWOEESA-N

Properties

• Density: 0.906g/cm³ (Cal.)
• Boiling point: 323.964°C at 760 mmHg (Cal.)
• Flash point: 161.118°C (Cal.)