4-T-Butyl-1-Phenyl-2,6,7-Trioxabicyclo(2.2.2)Octane
[CAS# 70637-05-7]

Identification

• Name: 4-T-Butyl-1-Phenyl-2,6,7-Trioxabicyclo(2.2.2)Octane
• Synonyms: Orthobenzoic Acid, Cyclic Ester With 2-(Tert-Butyl)-2-(Hydroxymethyl)-1,3-Propanediol; 2,6,7-Trioxabicyclo(2.2.2)Octane, 4-T-Butyl-1-Phenyl-; 4-T-Butyl-1-Phenyl-2,6,7-Trioxabicyclo(2.2.2)Octane
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32
• CAS Registry Number: 70637-05-7
• SMILES: C3=C(C12OCC(CO1)(C(C)(C)C)CO2)C=CC=C3
• InChI: 1S/C15H20O3/c1-13(2,3)14-9-16-15(17-10-14,18-11-14)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
• InChIKey: YXVNWLKUIGTVIH-UHFFFAOYSA-N

Properties

• Density: 1.149g/cm³ (Cal.)
• Boiling point: 313.766°C at 760 mmHg (Cal.)
• Flash point: 104.807°C (Cal.)