Introduction：Basic information about 2-tert-Butyl-1,4-benzoquinone CAS 3602-55-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-tert-Butyl-1,4-benzoquinone Basic information
| Product Name: | 2-tert-Butyl-1,4-benzoquinone |
| Synonyms: | 2-TERT-BUTYL-1,4-BENZOQUINONE;2-TERT-BUTYLQUINONE;2-TERT-BUTYL-P-QUINONE;2-(1,1-dimethylethyl)-2,5-cyclohexadien-1,4-dione;2,5-Cyclohexadiene-1,4-dione,2-(1,1-dimethylethyl)-;2-TERT-BUTYL(1,4)PARAQUINONE;PARA-BENZOQUINONE,2-TERT-BUTYL-;2-TERT-BUTYL-1,4-QUINONE |
| CAS: | 3602-55-9 |
| MF: | C10H12O2 |
| MW: | 164.2 |
| EINECS: | 222-757-8 |
| Product Categories: | C10;Carbonyl Compounds;Ketones;Benzoquinones |
| Mol File: | 3602-55-9.mol |
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2-tert-Butyl-1,4-benzoquinone Chemical Properties
| Melting point | 54-58 °C(lit.) |
| Boiling point | 227.8±15.0 °C(Predicted) |
| density | 1.092±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform, Methanol (Slightly) |
| form | Solid |
| color | Dark Yellow |
| InChI | InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3 |
| InChIKey | NCCTVAJNFXYWTM-UHFFFAOYSA-N |
| SMILES | C1(=O)C=CC(=O)C=C1C(C)(C)C |
| CAS DataBase Reference | 3602-55-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-(3602-55-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | DK3790000 |
| HS Code | 29146990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
2-tert-Butyl-1,4-benzoquinone Usage And Synthesis
| Chemical Properties | Yellow crystalline powder |
| Uses | 2-tert-Butyl-1,4-benzoquinone may be used in the synthesis of azatrioxa[8]circulene. |
| General Description | 2-tert-Butyl-1,4-benzoquinone (TBQ, TBBQ, tBQ, BuBQ, BQ , tert-butyl-p-quinone) is a 1,4-benzoquinone derivative. It is a major metabolite of the food additive, butylated hydroxyanisole (BHA). TBQ is reported to be strongly cytotoxic in human monocytic leukemia U937 cells. TBQ is an oxidation product of 2-tert-butylhydroquinone (TBHQ). Studies confirm that TBQ induces apoptosis and cell proliferation inhibition in chronic myelogenous leukemia (CML) cells. Its binding interactions with lysozyme has been examined and found to be intermediate between BHA and TBHQ. It has been reported to be synthesized by the titanium superoxide catalyzed oxidation of 2-tert-butylphenol using aq. 30% H2O2. TBQ is one of the main neoformed compounds from TBHQ decomposition in PLA-TBHQ film (Poly lactic acid). |
2-tert-Butyl-1,4-benzoquinone Preparation Products And Raw materials
| Preparation Products | 2-tert-butyl-1,4-dimethoxybenzene |
