(3aR,6S,6aS)-3,6-Dimethyl-4,5,6,6A-Tetrahydro-1(3aH)-Pentalenone
[CAS# 343930-24-5]

Identification

• Name: (3aR,6S,6aS)-3,6-Dimethyl-4,5,6,6A-Tetrahydro-1(3aH)-Pentalenone
• Synonyms: (3aR,6S,6aS)-3,6-dimethyl-4,5,6,6a-tetrahydropentalen-1(3aH)-one
• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.22
• CAS Registry Number: 343930-24-5
• SMILES: O=C1\C=C(/[C@H]2[C@@H]1[C@@H](C)CC2)C
• InChI: 1S/C10H14O/c1-6-3-4-8-7(2)5-9(11)10(6)8/h5-6,8,10H,3-4H2,1-2H3/t6-,8-,10-/m0/s1
• InChIKey: PLLWKYZJQPQVBK-HKPALBBZSA-N

Properties

• Density: 0.997g/cm³ (Cal.)
• Boiling point: 234.469°C at 760 mmHg (Cal.)
• Flash point: 96.311°C (Cal.)
• Refractive index: 1.497 (Cal.)