(3aS,7S,7aR)-7-Butyl-1,2,3,3a,4,6,7,7a-Octahydroinden-5-One
[CAS# 72152-83-1]

Identification

• Name: (3aS,7S,7aR)-7-Butyl-1,2,3,3a,4,6,7,7a-Octahydroinden-5-One
• Synonyms: 5H-Inden-5-One, 7-Butyloctahydro-
• Molecular Formula: C₁₃H₂₂O
• Molecular Weight: 194.32
• CAS Registry Number: 72152-83-1
• SMILES: [C@@H]1(CC(=O)C[C@H]2[C@H]1CCC2)CCCC
• InChI: 1S/C13H22O/c1-2-3-5-10-8-12(14)9-11-6-4-7-13(10)11/h10-11,13H,2-9H2,1H3/t10-,11-,13-/m0/s1
• InChIKey: NMJPUKVHEHWPMV-GVXVVHGQSA-N

Properties

• Density: 0.935g/cm³ (Cal.)
• Boiling point: 278.345°C at 760 mmHg (Cal.)
• Flash point: 114.654°C (Cal.)