4-Tert-Butyl-2,6,7-Trioxabicyclo[2.2.2]Octane
[CAS# 70636-87-2]

Identification

• Name: 4-Tert-Butyl-2,6,7-Trioxabicyclo[2.2.2]Octane
• Synonyms: 2,6,7-Trioxabicyclo(2.2.2)Octane, 4-Tert-Butyl-; 4-Tert-Butylbicycloorthocarboxylate; Orthoformic Acid, Cyclic Ester With 2-(Tert-Butyl)-2-(Hydroxymethyl)-1,3-Propanediol
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.22
• CAS Registry Number: 70636-87-2
• SMILES: CC(C12COC(OC1)OC2)(C)C
• InChI: 1S/C9H16O3/c1-8(2,3)9-4-10-7(11-5-9)12-6-9/h7H,4-6H2,1-3H3
• InChIKey: GMBZHAZDIZEIMO-UHFFFAOYSA-N

Properties

• Density: 1.096g/cm³ (Cal.)
• Boiling point: 193.896°C at 760 mmHg (Cal.)
• Flash point: 61.71°C (Cal.)