4-Tert-Butyl-1-Propyl-2,6,7-Trioxabicyclo[2.2.2]Octane
[CAS# 70636-95-2]

Identification

• Name: 4-Tert-Butyl-1-Propyl-2,6,7-Trioxabicyclo[2.2.2]Octane
• Synonyms: 1-Propyl-4-Tert-Butylbicycloorthocarboxylate; 2,6,7-Trioxabicyclo(2.2.2)Octane, 4-Tert-Butyl-1-Propyl-; Orthobutyric Acid, Cyclic Ester With 2-(Tert-Butyl)-2-(Hydroxymethyl)-1,3-Propanediol
• Molecular Formula: C₁₂H₂₂O₃
• Molecular Weight: 214.30
• CAS Registry Number: 70636-95-2
• SMILES: C(C12OCC(C(C)(C)C)(CO1)CO2)CC
• InChI: 1S/C12H22O3/c1-5-6-12-13-7-11(8-14-12,9-15-12)10(2,3)4/h5-9H2,1-4H3
• InChIKey: FQIMECQOOZKMKC-UHFFFAOYSA-N

Properties

• Density: 1.041g/cm³ (Cal.)
• Boiling point: 241.669°C at 760 mmHg (Cal.)
• Flash point: 78.886°C (Cal.)