4-Isopropyl-1-Propyl-2,6,7-Trioxabicyclo[2.2.2]Octane
[CAS# 70636-94-1]

Identification

• Name: 4-Isopropyl-1-Propyl-2,6,7-Trioxabicyclo[2.2.2]Octane
• Synonyms: 1-Isopropyl-4-Propyl-3,5,8-Trioxabicyclo[2.2.2]Octane; 2,6,7-Trioxabicyclo(2.2.2)Octane, 4-Isopropyl-1-Propyl-; Orthobutyric Acid, Cyclic Ester With 2-(Hydroxymethyl)-2-Isopropyl-1,3-Propanediol
• Molecular Formula: C₁₁H₂₀O₃
• Molecular Weight: 200.28
• CAS Registry Number: 70636-94-1
• SMILES: C(C12OCC(CO1)(CO2)C(C)C)CC
• InChI: 1S/C11H20O3/c1-4-5-11-12-6-10(7-13-11,8-14-11)9(2)3/h9H,4-8H2,1-3H3
• InChIKey: LUMBOKJJSSIFGR-UHFFFAOYSA-N

Properties

• Density: 1.044g/cm³ (Cal.)
• Boiling point: 228.47°C at 760 mmHg (Cal.)
• Flash point: 74.14°C (Cal.)