(1R,2R,7S,9S)-13-Oxatricyclo[7.3.1.0^2,7]Tridecane-7,9-Diol
[CAS# 436800-76-9]

Identification

• Name: (1R,2R,7S,9S)-13-Oxatricyclo[7.3.1.0^2,7]Tridecane-7,9-Diol
• Synonyms: (4aR,5R,9S,10aS)-dodecahydro-5,9-epoxybenzo[8]annulene-9,10a-diol
• Molecular Formula: C₁₂H₂₀O₃
• Molecular Weight: 212.29
• CAS Registry Number: 436800-76-9
• SMILES: C1CC[C@@]2(C[C@@]3(CCC[C@H]([C@H]2C1)O3)O)O
• InChI: 1S/C12H20O3/c13-11-6-2-1-4-9(11)10-5-3-7-12(14,8-11)15-10/h9-10,13-14H,1-8H2/t9-,10-,11+,12+/m1/s1
• InChIKey: JFFSDHCZHVHTEI-WYUUTHIRSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 369.0±37.0°C at 760 mmHg (Cal.)
• Flash point: 177.0±26.5°C (Cal.)
• Refractive index: 1.585 (Cal.)