(3aR,6aS)-5-Acetyl-3,3A,4,6A-Tetrahydro-2(1H)-Pentalenone
[CAS# 112755-96-1]

Identification

• Name: (3aR,6aS)-5-Acetyl-3,3A,4,6A-Tetrahydro-2(1H)-Pentalenone
• Synonyms: (3aS,6aR)-5-acetyl-3,3a,6,6a-tetrahydropentalen-2(1H)-one
• Molecular Formula: C₁₀H₁₂O₂
• Molecular Weight: 164.20
• CAS Registry Number: 112755-96-1
• SMILES: CC(=O)C1=C[C@H]2CC(=O)C[C@H]2C1
• InChI: 1S/C10H12O2/c1-6(11)7-2-8-4-10(12)5-9(8)3-7/h2,8-9H,3-5H2,1H3/t8-,9+/m0/s1
• InChIKey: RWEPUZUEJDIHAO-DTWKUNHWSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 306.307°C at 760 mmHg (Cal.)
• Flash point: 114.51°C (Cal.)
• Refractive index: 1.53 (Cal.)