4-Butyl-1-Propyl-2,6,7-Trioxabicyclo[2.2.2]Octane
[CAS# 70636-93-0]

Identification

• Name: 4-Butyl-1-Propyl-2,6,7-Trioxabicyclo[2.2.2]Octane
• Synonyms: 2,6,7-Trioxabicyclo(2.2.2)Octane, 4-Butyl-1-Propyl-; Orthobutyric Acid, Cyclic Ester With 2-Butyl-2-(Hydroxymethyl)-1,3-Propanediol
• Molecular Formula: C₁₂H₂₂O₃
• Molecular Weight: 214.30
• CAS Registry Number: 70636-93-0
• SMILES: C(C12OCC(CO1)(CO2)CCCC)CC
• InChI: 1S/C12H22O3/c1-3-5-7-11-8-13-12(6-4-2,14-9-11)15-10-11/h3-10H2,1-2H3
• InChIKey: VDMNTYLFXBBACX-UHFFFAOYSA-N

Properties

• Density: 1.019g/cm³ (Cal.)
• Boiling point: 253.534°C at 760 mmHg (Cal.)
• Flash point: 83.151°C (Cal.)