3,6-Ditert-Butylcyclohexa-3,5-Diene-1,2-Dione
[CAS# 34105-76-5]

Identification

• Name: 3,6-Ditert-Butylcyclohexa-3,5-Diene-1,2-Dione
• Synonyms: 3,6-Ditert-Butyl-1,2-Benzoquinone; 3,6-Ditert-Butyl-O-Benzoquinone; 3,5-Cyclohexadiene-1,2-Dione, 3,6-Bis(1,1-Dimethylethyl)-
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.31
• CAS Registry Number: 34105-76-5
• SMILES: CC(C1=CC=C(C(C1=O)=O)C(C)(C)C)(C)C
• InChI: 1S/C14H20O2/c1-13(2,3)9-7-8-10(14(4,5)6)12(16)11(9)15/h7-8H,1-6H3
• InChIKey: YYBNZCMLHZKAKV-UHFFFAOYSA-N

Properties

• Density: 1.027g/cm³ (Cal.)
• Boiling point: 304.017°C at 760 mmHg (Cal.)
• Flash point: 121.306°C (Cal.)

References

• (1): Alexandr V. Piskunov, Aryna V. Maleeva, Georgii K. Fukin, Evgenii V. Baranov, Artem S. Bogomyakov, Vladimir K. Cherkasov and Gleb A. Abakumov. Synthesis and molecular structure of indium complexes based on 3,6-di-tert-butyl-o-benzoquinone. Looking for indium(i) o-semiquinolate, Dalton Trans., 2011, 40, 718.