(3aR,6aS)-4,6A-Dimethyl-3,3A,6,6A-Tetrahydro-1(2H)-Pentalenone
[CAS# 552424-65-4]

Identification

• Name: (3aR,6aS)-4,6A-Dimethyl-3,3A,6,6A-Tetrahydro-1(2H)-Pentalenone
• Synonyms: (3aR,6aS)-4,6a-dimethyl-3,3a,6,6a-tetrahydropentalen-1(2H)-one
• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.22
• CAS Registry Number: 552424-65-4
• SMILES: CC1=CC[C@]2([C@@H]1CCC2=O)C
• InChI: 1S/C10H14O/c1-7-5-6-10(2)8(7)3-4-9(10)11/h5,8H,3-4,6H2,1-2H3/t8-,10+/m1/s1
• InChIKey: MHGOWQHISPDJMM-SCZZXKLOSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 219.4±9.0°C at 760 mmHg (Cal.)
• Flash point: 82.3±13.7°C (Cal.)
• Refractive index: 1.517 (Cal.)