(3aS,4S,6aS)-4-Isopropenyl-3A,6A-Dimethylhexahydro-2(1H)-Pentalenone
[CAS# 581096-88-0]

Identification

• Name: (3aS,4S,6aS)-4-Isopropenyl-3A,6A-Dimethylhexahydro-2(1H)-Pentalenone
• Synonyms: (3aS,4S,6aS)-3a,6a-dimethyl-4-(prop-1-en-2-yl)hexahydropentalen-2(1H)-one
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.30
• CAS Registry Number: 581096-88-0
• SMILES: O=C1C[C@]2([C@H](\C(=C)C)CC[C@@]2(C)C1)C
• InChI: 1S/C13H20O/c1-9(2)11-5-6-12(3)7-10(14)8-13(11,12)4/h11H,1,5-8H2,2-4H3/t11-,12-,13-/m0/s1
• InChIKey: FIMQFOONFYGXKF-AVGNSLFASA-N

Properties

• Density: 0.989g/cm³ (Cal.)
• Boiling point: 253.988°C at 760 mmHg (Cal.)
• Flash point: 98.776°C (Cal.)
• Refractive index: 1.504 (Cal.)