(3aR,5R,6aS)-5-Methoxyhexahydro-2(1H)-Pentalenone
[CAS# 441016-98-4]

Identification

• Name: (3aR,5R,6aS)-5-Methoxyhexahydro-2(1H)-Pentalenone
• Synonyms: (3aR,5r,6aS)-5-methoxyhexahydropentalen-2(1H)-one
• Molecular Formula: C₉H₁₄O₂
• Molecular Weight: 154.21
• CAS Registry Number: 441016-98-4
• SMILES: CO[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1
• InChI: 1S/C9H14O2/c1-11-9-4-6-2-8(10)3-7(6)5-9/h6-7,9H,2-5H2,1H3/t6-,7+,9-
• InChIKey: JUZGULRWIIOVOK-SRSLHRDFSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 233.1±23.0°C at 760 mmHg (Cal.)
• Flash point: 95.1±16.2°C (Cal.)
• Refractive index: 1.482 (Cal.)