(3R,3aS,6aR)-3-Ethynylhexahydro-3A(1H)-Pentalenol
[CAS# 222613-83-4]

Identification

• Name: (3R,3aS,6aR)-3-Ethynylhexahydro-3A(1H)-Pentalenol
• Synonyms: (3R,3aS,6aR)-3-ethynyloctahydropentalen-3a-ol
• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.22
• CAS Registry Number: 222613-83-4
• SMILES: C#C[C@H]1CC[C@@H]2[C@]1(CCC2)O
• InChI: 1S/C10H14O/c1-2-8-5-6-9-4-3-7-10(8,9)11/h1,8-9,11H,3-7H2/t8-,9+,10+/m0/s1
• InChIKey: NOZBDLJUKKFMKS-IVZWLZJFSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 221.4±19.0°C at 760 mmHg (Cal.)
• Flash point: 94.9±14.5°C (Cal.)
• Refractive index: 1.532 (Cal.)