(3aR,6aR)-3A,6A-Dimethylhexahydro-1(2H)-Pentalenone
[CAS# 581096-80-2]

Identification

• Name: (3aR,6aR)-3A,6A-Dimethylhexahydro-1(2H)-Pentalenone
• Synonyms: (3aR,6aR)-3a,6a-dimethylhexahydropentalen-1(2H)-one
• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.23
• CAS Registry Number: 581096-80-2
• SMILES: C[C@]12CCC[C@]1(C(=O)CC2)C
• InChI: 1S/C10H16O/c1-9-5-3-6-10(9,2)8(11)4-7-9/h3-7H2,1-2H3/t9-,10+/m1/s1
• InChIKey: DQYHNEACAJIDLH-ZJUUUORDSA-N

Properties

• Density: 1.022g/cm³ (Cal.)
• Boiling point: 210.153°C at 760 mmHg (Cal.)
• Flash point: 73.772°C (Cal.)
• Refractive index: 1.507 (Cal.)