(1R,3S,5S)-3-(2-Methyl-2-Propanyl)-9-Oxabicyclo[3.3.1]Nonane-1,3-Diol
[CAS# 436800-70-3]

Identification

• Name: (1R,3S,5S)-3-(2-Methyl-2-Propanyl)-9-Oxabicyclo[3.3.1]Nonane-1,3-Diol
• Synonyms: (1R,3S,5S)-3-(tert-butyl)-9-oxabicyclo[3.3.1]nonane-1,3-diol
• Molecular Formula: C₁₂H₂₂O₃
• Molecular Weight: 214.30
• CAS Registry Number: 436800-70-3
• SMILES: O[C@@]1(C[C@]2(O)O[C@H](C1)CCC2)C(C)(C)C
• InChI: 1S/C12H22O3/c1-10(2,3)11(13)7-9-5-4-6-12(14,8-11)15-9/h9,13-14H,4-8H2,1-3H3/t9-,11-,12+/m0/s1
• InChIKey: WBFKWUTVYPAANN-ZMLRMANQSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 335.331°C at 760 mmHg (Cal.)
• Flash point: 156.603°C (Cal.)
• Refractive index: 1.536 (Cal.)