tert-Butylhydroquinone

• Catalog Number: ACM1948330-3
• Product Name: tert-Butylhydroquinone
• CAS: 1948-33-0
• Category: Polymer/Macromolecule
• 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.
• Synonyms: NSC 4972, 2-(1,1-Dimethylethyl)-1,4-benzenediol
• 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
• InChI Key: BGNXCDMCOKJUMV-UHFFFAOYSA-N
• Boiling Point: 295 °C
• Melting Point: 127-129 °C (lit.)
• Flash Point: 171 °C
• 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.
• Assay: 97%
• Autoignition Temperature: 855 °F
• Complexity: 148
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 217-752-2
• Exact Mass: 166.099379685
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• Formal Charge: 0
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• MDL Number: MFCD00002344
• Monoisotopic Mass: 166.099379685
• NACRES: NA.23
• Packaging: Packaging; 5, 100, 500 g in poly bottle
• Physical State: Solid
• PubChem ID: 24847122
• Quality Level: 200
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 40.5 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0