| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM1948330-3 |
| Product Name | tert-Butylhydroquinone |
| CAS | 1948-33-0 |
| Structure |  |
| Synonyms | NSC 4972, 2-(1,1-Dimethylethyl)-1,4-benzenediol |
| Description | tert-Butylhydroquinone (TBHQ) is a phenolic antioxidant. TBHQ is frequently used as a food preservative. In low concentrations it shows cytoprotective qualities while at higher concentrations it exhibits cytotoxic behavior. |
| IUPAC Name | 2-Tert-butylbenzene-1,4-diol |
| Molecular Weight | 166.22 |
| Molecular Formula | (CH3)3CC6H3-1,4-(OH)2 |
| Canonical SMILES | CC(C)(C)c1cc(O)ccc1O |
| InChI | 1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3 |
| InChIKey | BGNXCDMCOKJUMV-UHFFFAOYSA-N |
| Boiling Point | 295 °C |
| Melting Point | 127-129 °C (lit.) |
| Flash Point | 171 °C |
| Purity | 98%+ |
| Application | TBHQ was used to study the inactivation of barotolerant strains of Listeria monocytogenes and Escherichia coli. Environment friendly electrode materials for supercapacitors were attained by decorating the surface of graphene nanosheets with TBHQ. |
| Autoignition Temperature | 855 °F |
| Complexity | 148 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.099379685 |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 166.099379685 |
| Physical State | Solid |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
※ Please kindly note that our products are for research use only.
