4-Ethyl-1-Phenyl-2,6,7-Trioxabicyclo[2.2.2]Octane
[CAS# 70637-02-4]

Identification

• Name: 4-Ethyl-1-Phenyl-2,6,7-Trioxabicyclo[2.2.2]Octane
• Synonyms: 2,6,7-Trioxabicyclo(2.2.2)Octane, 4-Ethyl-1-Phenyl-; Orthobenzoic Acid, Cyclic Ester With 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.27
• CAS Registry Number: 70637-02-4
• SMILES: C1=CC=CC=C1C23OCC(CO2)(CO3)CC
• InChI: 1S/C13H16O3/c1-2-12-8-14-13(15-9-12,16-10-12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
• InChIKey: YXQANRITUWTASV-UHFFFAOYSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 293.88°C at 760 mmHg (Cal.)
• Flash point: 97.657°C (Cal.)