1-Butyl-4-Isopropyl-2,6,7-Trioxabicyclo[2.2.2]Octane
[CAS# 70636-98-5]

Identification

• Name: 1-Butyl-4-Isopropyl-2,6,7-Trioxabicyclo[2.2.2]Octane
• Synonyms: 4-Butyl-1-Isopropyl-3,5,8-Trioxabicyclo[2.2.2]Octane; 2,6,7-Trioxabicyclo(2.2.2)Octane, 1-Butyl-4-Isopropyl-; Orthovaleric Acid, Cyclic Ester With 2-(Hydroxymethyl)-2-Isopropyl-1,3-Propanediol
• Molecular Formula: C₁₂H₂₂O₃
• Molecular Weight: 214.30
• CAS Registry Number: 70636-98-5
• SMILES: C(C12OCC(CO1)(CO2)C(C)C)CCC
• InChI: 1S/C12H22O3/c1-4-5-6-12-13-7-11(8-14-12,9-15-12)10(2)3/h10H,4-9H2,1-3H3
• InChIKey: YMCFWLFLADLFCM-UHFFFAOYSA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 247.976°C at 760 mmHg (Cal.)
• Flash point: 81.153°C (Cal.)