(1R,3aS,6aS)-2-(2,2-Dimethylpropyl)-1,3a,4,5,6,6a-hexahydro-1-pentalenol
[CAS# 682811-45-6]

Identification

• Name: (1R,3aS,6aS)-2-(2,2-Dimethylpropyl)-1,3a,4,5,6,6a-hexahydro-1-pentalenol
• Synonyms: (1R,3aS,6aS)-2-neopentyl-1,3a,4,5,6,6a-hexahydropentalen-1-ol
• Molecular Formula: C₁₃H₂₂O
• Molecular Weight: 194.31
• CAS Registry Number: 682811-45-6
• SMILES: CC(C)(C)CC1=C[C@@H]2CCC[C@@H]2[C@H]1O
• InChI: 1S/C13H22O/c1-13(2,3)8-10-7-9-5-4-6-11(9)12(10)14/h7,9,11-12,14H,4-6,8H2,1-3H3/t9-,11-,12-/m0/s1
• InChIKey: IZGGEPOTUBSOFE-DLOVCJGASA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 281.5±9.0°C at 760 mmHg (Cal.)
• Flash point: 115.1±11.0°C (Cal.)
• Refractive index: 1.51 (Cal.)