1-Butyl-4-Propyl-2,6,7-Trioxabicyclo[2.2.2]Octane
[CAS# 70636-97-4]

Identification

• Name: 1-Butyl-4-Propyl-2,6,7-Trioxabicyclo[2.2.2]Octane
• Synonyms: Orthovaleric Acid, Cyclic Ester With 2-(Hydroxymethyl)-2-Propyl-1,3-Propanediol; 2,6,7-Trioxabicyclo(2.2.2)Octane, 1-Butyl-4-Propyl-
• Molecular Formula: C₁₂H₂₂O₃
• Molecular Weight: 214.30
• CAS Registry Number: 70636-97-4
• SMILES: C(C12OCC(CO1)(CO2)CCC)CCC
• InChI: 1S/C12H22O3/c1-3-5-7-12-13-8-11(6-4-2,9-14-12)10-15-12/h3-10H2,1-2H3
• InChIKey: KSNOATJQGRPSAK-UHFFFAOYSA-N

Properties

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