(3aR,4S,6aR)-4-Hydroxy-4-methyl-4,6a-dihydro-1(3aH)-pentalenone
[CAS# 642470-85-7]

Identification

• Name: (3aR,4S,6aR)-4-Hydroxy-4-methyl-4,6a-dihydro-1(3aH)-pentalenone
• Synonyms: (3aR,4S,6aR)-4-hydroxy-4-methyl-3a,4-dihydropentalen-1(6aH)-one
• Molecular Formula: C₉H₁₀O₂
• Molecular Weight: 150.17
• CAS Registry Number: 642470-85-7
• SMILES: O=C1\C=C/[C@@H]2[C@H]1/C=C\[C@@]2(O)C
• InChI: 1S/C9H10O2/c1-9(11)5-4-6-7(9)2-3-8(6)10/h2-7,11H,1H3/t6-,7-,9+/m1/s1
• InChIKey: OUHPNGOGIOWYAS-BHNWBGBOSA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Boiling point: 305.466°C at 760 mmHg (Cal.)
• Flash point: 129.07°C (Cal.)
• Refractive index: 1.581 (Cal.)