4-Phenyl-1-Propyl-3,5,8-Trioxabicyclo[2.2.2]Octane
[CAS# 70637-03-5]

Identification

• Name: 4-Phenyl-1-Propyl-3,5,8-Trioxabicyclo[2.2.2]Octane
• Synonyms: 2,6,7-Trioxabicyclo(2.2.2)Octane, 1-Phenyl-4-Propyl-; Orthobenzoic Acid, Cyclic Ester With 2-(Hydroxymethyl)-2-Propyl-1,3-Propanediol
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29
• CAS Registry Number: 70637-03-5
• SMILES: C1=CC=CC=C1C23OCC(CO2)(CO3)CCC
• InChI: 1S/C14H18O3/c1-2-8-13-9-15-14(16-10-13,17-11-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
• InChIKey: PPVVLQQOTAKGFG-UHFFFAOYSA-N

Properties

• Density: 1.149g/cm³ (Cal.)
• Boiling point: 310.241°C at 760 mmHg (Cal.)
• Flash point: 103.539°C (Cal.)