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

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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 Structure CAS#: 34105-76-5, 3,6-Ditert-Butylcyclohexa-3,5-Diene-1,2-Dione
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.
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