(3aS,6aR)-5,5-Dimethylhexahydro-1(2H)-Pentalenone
[CAS# 445307-64-2]

Identification

• Name: (3aS,6aR)-5,5-Dimethylhexahydro-1(2H)-Pentalenone
• Synonyms: (3aS,6aR)-5,5-dimethylhexahydropentalen-1(2H)-one
• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.23
• CAS Registry Number: 445307-64-2
• SMILES: O=C2[C@@H]1CC(C)(C[C@@H]1CC2)C
• InChI: 1S/C10H16O/c1-10(2)5-7-3-4-9(11)8(7)6-10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
• InChIKey: HTCXXOQBBXKJIN-JGVFFNPUSA-N

Properties

• Density: 0.964g/cm³ (Cal.)
• Boiling point: 216.02°C at 760 mmHg (Cal.)
• Flash point: 77.289°C (Cal.)
• Refractive index: 1.474 (Cal.)