19671

4-tert-Butylcatechol

≥99.0%

• Synonym(s): 4-(1,1-Dimethylethyl)benzene-1,2-diol, 4-tert-Butylcatechin, 4-tert-Butylpyrocatechol, 4-TBC, p-tert-Butylcatechol
• Linear Formula: (CH₃)₃CC₆H₃-1,2-(OH)₂
• CAS Number: 98-29-3
• Molecular Weight: 166.22
• Beilstein: 2043335
• EC Number: 202-653-9
• MDL number: MFCD00002201
• UNSPSC Code: 12352100
• PubChem Substance ID: 57647804
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: ≥99.0%
• form: powder
• bp: 285 °C (lit.)
• mp: 52-55 °C (lit.); 56-58 °C
• solubility: methanol: soluble 1 g/10 mL, clear, colorless
• SMILES string: CC(C)(C)c1ccc(O)c(O)c1
• InChI: 1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
• InChI key: XESZUVZBAMCAEJ-UHFFFAOYSA-N

Description

General description

4-tert-Butylcatechol,in the presence of O₂ catalyzed by tyrosinase, yields 4-tert-butyl-o-benzoquinone. Electrochemical oxidation of 4-tert-Butylcatechol in the presence of 4-hydroxycoumarin as nucleophile has been studied using cyclic voltammetry and controlled-potential coulometry. It undergoes electrochemical trimerization via anodic oxidation and mechanism of trimerization has been studied using cyclic voltammetry and controlled-potential coulometry.

Application

• Antioxidant source for radical reactions: Research identified 4-tert-Butylcatechol as a viable source of hydrogen atoms in radical reactions, specifically in deiodination processes, expanding its utility in synthetic organic chemistry (Povie et al., 2016).

Safety Information

• Pictograms: GHS05,GHS07,GHS09
• Signal Word: Danger
• Hazard Statements: H302 + H312,H314,H317,H410
• Precautionary Statements: P260 - P273 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves