1,4-Dibutyl-2,6,7-Trioxabicyclo[2.2.2]Octane
[CAS# 70636-96-3]

Identification

• Name: 1,4-Dibutyl-2,6,7-Trioxabicyclo[2.2.2]Octane
• Synonyms: 2,6,7-Trioxabicyclo(2.2.2)Octane, 1,4-Dibutyl-; Orthovaleric Acid, Cyclic Ester With 2-Butyl-2-(Hydroxymethyl)-1,3-Propanediol
• Molecular Formula: C₁₃H₂₄O₃
• Molecular Weight: 228.33
• CAS Registry Number: 70636-96-3
• SMILES: C(C12OCC(CO1)(CO2)CCCC)CCC
• InChI: 1S/C13H24O3/c1-3-5-7-12-9-14-13(15-10-12,16-11-12)8-6-4-2/h3-11H2,1-2H3
• InChIKey: RGVKKPSIJLTRCD-UHFFFAOYSA-N

Properties

• Density: 1.007g/cm³ (Cal.)
• Boiling point: 272.051°C at 760 mmHg (Cal.)
• Flash point: 89.809°C (Cal.)