1-Butyl-4-Tert-Butyl-2,6,7-Trioxabicyclo[2.2.2]Octane
[CAS# 70636-99-6]

Identification

• Name: 1-Butyl-4-Tert-Butyl-2,6,7-Trioxabicyclo[2.2.2]Octane
• Synonyms: 1-Butyl-4-Tert-Butylbicycloorthocarboxylate; 2,6,7-Trioxabicyclo(2.2.2)Octane, 1-Butyl-4-Tert-Butyl-; Orthovaleric Acid, Cyclic Ester With 2-(Tert-Butyl)-2-(Hydroxymethyl)-1,3-Propanediol
• Molecular Formula: C₁₃H₂₄O₃
• Molecular Weight: 228.33
• CAS Registry Number: 70636-99-6
• SMILES: C(C12OCC(C(C)(C)C)(CO1)CO2)CCC
• InChI: 1S/C13H24O3/c1-5-6-7-13-14-8-12(9-15-13,10-16-13)11(2,3)4/h5-10H2,1-4H3
• InChIKey: UKDUFUPPQRVJFK-UHFFFAOYSA-N

Properties

• Density: 1.027g/cm³ (Cal.)
• Boiling point: 260.675°C at 760 mmHg (Cal.)
• Flash point: 85.719°C (Cal.)