(3aR,7aS)-2-(2,6-Dimethylheptyl)-3-hydroxy-3a,4,5,6,7,7a-hexahydro-1H-inden-1-one
[CAS 871482-75-6]

Identification

• Name: (3aR,7aS)-2-(2,6-Dimethylheptyl)-3-hydroxy-3a,4,5,6,7,7a-hexahydro-1H-inden-1-one
• Molecular Formula: C₁₈H₃₀O₂
• Molecular Weight: 278.43
• CAS Registry Number: 871482-75-6
• SMILES: O=C1\C(=C(\O)[C@H]2[C@@H]1CCCC2)CC(C)CCCC(C)C
• InChI: 1S/C18H30O2/c1-12(2)7-6-8-13(3)11-16-17(19)14-9-4-5-10-15(14)18(16)20/h12-15,19H,4-11H2,1-3H3/t13?,14-,15+/m1/s1
• InChIKey: XJNQZMDASJMLKT-DMJDIKPUSA-N

Properties

• Density: 1.004g/cm³ (Cal.)
• Boiling point: 392.67°C at 760 mmHg (Cal.)
• Flash point: 167.686°C (Cal.)
• Refractive index: 1.507 (Cal.)