5-Tert-Butyl-1,3-Benzodioxol-2-One
[CAS# 54815-21-3]

Identification

• Name: 5-Tert-Butyl-1,3-Benzodioxol-2-One
• Synonyms: 5-(1,1-Dimethylethyl)-1,3-Benzodioxol-2-One; 1,3-Benzodioxol-2-One, 5-(1,1-Dimethylethyl)-
• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.21
• CAS Registry Number: 54815-21-3
• SMILES: C1=C(C(C)(C)C)C=C2C(=C1)OC(O2)=O
• InChI: 1S/C11H12O3/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-6H,1-3H3
• InChIKey: KLQJKXDFHGURBO-UHFFFAOYSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 240.581°C at 760 mmHg (Cal.)
• Flash point: 91.744°C (Cal.)