19670

4-tert-Butylcatechol

≥97.0% (HPLC)

• 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/REAXYS Number: 2043335
• EC Number: 202-653-9
• MDL number: MFCD00002201
• UNSPSC Code: 12352100
• PubChem Substance ID: 57647803
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: ≥97.0% (HPLC)
• bp: 285 °C (lit.)
• mp: 52-55 °C (lit.); 53-58 °C
• solubility: methanol: soluble 1 g/10 mL, clear, colorless to slightly yellow
• 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

• Electrochemical Oxidation of Catechol and 4-tert-Butylcatechol: This study explores the oxidation reactions of catechol and 4-tert-butylcatechol, detailing the electrochemical pathways and potential applications in synthetic chemistry (E Tammari, M Heravi, D Nematollahi, academia.edu).
• Selective Oxidation of 4-tert-butylphenol by Hydrogen Peroxide: Discusses the catalytic performance of titanosilicates in the selective oxidation to 4-tert-butylcatechol, emphasizing improvements in selectivity and yield (RR Talipova et al., Applied Petrochemical Research, 2016 - Springer).
• Barium 5-(tert-butyl)-2,3-dihydroxybenzenesulfonate: This research presents the sulfonation process of 4-tert-butylcatechol, contributing to the development of new derivatives for advanced materials (LG Rubicheva, DA Lukyanov - Molbank, 2022 - mdpi.com).
• UV-AOPs for Efficient Continuous Flow Removal of 4-tert-butylphenol: Compares various advanced oxidation processes for removing contaminants like 4-tert-butylcatechol from water, highlighting the environmental applications (S Mergenbayeva, SG Poulopoulos - Processes, 2021 - mdpi.com).
• The Study on the Degradation of 4-tert-butylphenol by Hydroxyl Radical: This article investigates the degradation pathways of 4-tert-butylcatechol, providing insights into the environmental impact and degradation mechanisms (YL Wu et al., China Environmental Science, 2016 - cabdirect.org).

Safety Information

• pictograms: GHS05,GHS07,GHS09
• signalword: Danger
• hcodes: H302 + H312,H314,H317,H410
• pcodes: 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: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges