(3aS,6aR)-5-Oxo-1,3a,4,5,6,6a-hexahydro-2-pentalenyl acetate
[CAS# 639860-12-1]

Identification

• Name: (3aS,6aR)-5-Oxo-1,3a,4,5,6,6a-hexahydro-2-pentalenyl acetate
• Synonyms: (3aS,6aR)-5-oxo-1,3a,4,5,6,6a-hexahydropentalen-2-yl acetate
• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.20
• CAS Registry Number: 639860-12-1
• SMILES: CC(=O)OC1=C[C@H]2CC(=O)C[C@H]2C1
• InChI: 1S/C10H12O3/c1-6(11)13-10-4-7-2-9(12)3-8(7)5-10/h4,7-8H,2-3,5H2,1H3/t7-,8+/m1/s1
• InChIKey: RNCWZAMUKFRWOY-SFYZADRCSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 316.949°C at 760 mmHg (Cal.)
• Flash point: 140.868°C (Cal.)
• Refractive index: 1.518 (Cal.)