(3aR,9aR)-3A,9A-Dihydroxy-3-Methyl-3A,4,5,6,7,8,9,9A-Octahydro-1H-Cyclopenta[8]Annulen-1-One
[CAS# 359875-13-1]

Identification

• Name: (3aR,9aR)-3A,9A-Dihydroxy-3-Methyl-3A,4,5,6,7,8,9,9A-Octahydro-1H-Cyclopenta[8]Annulen-1-One
• Molecular Formula: C₁₂H₁₈O₃
• Molecular Weight: 210.27
• CAS Registry Number: 359875-13-1
• SMILES: CC1=CC(=O)[C@@]2([C@]1(CCCCCC2)O)O
• InChI: 1S/C12H18O3/c1-9-8-10(13)12(15)7-5-3-2-4-6-11(9,12)14/h8,14-15H,2-7H2,1H3/t11-,12+/m1/s1
• InChIKey: HICJTFXZPNMFMY-NEPJUHHUSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 355.0±42.0°C at 760 mmHg (Cal.)
• Flash point: 182.7±24.4°C (Cal.)
• Refractive index: 1.586 (Cal.)