4-Pentyl-1-Propan-2-Yl-3,5,8-Trioxabicyclo[2.2.2]Octane
[CAS# 78219-79-1]

Identification

• Name: 4-Pentyl-1-Propan-2-Yl-3,5,8-Trioxabicyclo[2.2.2]Octane
• Synonyms: 1-Isopropyl-4-Pentyl-3,5,8-Trioxabicyclo[2.2.2]Octane; 4-Amyl-1-Isopropyl-3,5,8-Trioxabicyclo[2.2.2]Octane; 2,6,7-Trioxabicyclo(2.2.2)Octane, 4-Isopropyl-1-Pentyl-
• Molecular Formula: C₁₃H₂₄O₃
• Molecular Weight: 228.33
• CAS Registry Number: 78219-79-1
• SMILES: C(C12OCC(CO1)(CO2)C(C)C)CCCC
• InChI: 1S/C13H24O3/c1-4-5-6-7-13-14-8-12(9-15-13,10-16-13)11(2)3/h11H,4-10H2,1-3H3
• InChIKey: UNGGCBFMTPPGFF-UHFFFAOYSA-N

Properties

• Density: 1.016g/cm³ (Cal.)
• Boiling point: 266.725°C at 760 mmHg (Cal.)
• Flash point: 87.894°C (Cal.)