(3aR,3bR,8aS)-3a,5,5-Trimethyl-3,3a,3b,4,5,8-hexahydrocyclopenta[1,3]cyclopropa[1,2][7]annulen-1(2H)-one
[CAS 791810-04-3]

Identification

• Name: (3aR,3bR,8aS)-3a,5,5-Trimethyl-3,3a,3b,4,5,8-hexahydrocyclopenta[1,3]cyclopropa[1,2][7]annulen-1(2H)-one
• Molecular Formula: C₁₄H₂₀O
• Molecular Weight: 204.31
• CAS Registry Number: 791810-04-3
• SMILES: C[C@]12CCC(=O)[C@@]13[C@@H]2CC(C=CC3)(C)C
• InChI: 1S/C14H20O/c1-12(2)6-4-7-14-10(9-12)13(14,3)8-5-11(14)15/h4,6,10H,5,7-9H2,1-3H3/t10-,13-,14-/m1/s1
• InChIKey: UAIUKUDRHXDGGK-LERXQTSPSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 284.5±9.0°C at 760 mmHg (Cal.)
• Flash point: 115.9±13.7°C (Cal.)
• Refractive index: 1.534 (Cal.)