2-tert-Butyl-1,4-benzoquinone
ALDRICH/429074 - 98%
CAS Number: 3602-55-9
Empirical Formula (Hill Notation): C10H12O2
Molecular Weight: 164.20
EC Number: 222-757-8
MDL Number: MFCD00666928
Linear Formula: (CH3)3CC6H3(=O)2
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 429074-5G
| assay | 98% |
| form | solid |
| InChI | 1S/C10H12O2/c1-10(2,3)8-6 |
| InChI key | NCCTVAJNFXYWTM-UHFFFAOYSA |
| mp | 54-58 °C (lit.) |
| SMILES string | CC(C)(C)C1=CC(=O)C=CC1=O |
| Application: | 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). |
| Packaging: | 5 g in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 98% |
| mp | 54-58 °C (lit.) |
| UNSPSC | 12352100 |