19670

4-tert.-Butyl-brenzkatechin

≥97.0% (HPLC)

• Synonym(e): 4-(1,1-Dimethylethyl)benzene-1,2-diol, 4-tert-Butylcatechin, 4-tert-Butylpyrocatechol, 4-TBC, p-tert-Butylcatechol
• Lineare Formel: (CH₃)₃CC₆H₃-1,2-(OH)₂
• CAS-Nummer: 98-29-3
• Molekulargewicht: 166.22
• Beilstein: 2043335
• EG-Nummer: 202-653-9
• MDL-Nummer: MFCD00002201
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 57647803
• NACRES: NA.22

Eigenschaften

• Assay: ≥97.0% (HPLC)
• bp: 285 °C (lit.)
• mp (Schmelzpunkt): 52-55 °C (lit.); 53-58 °C
• Löslichkeit: 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
• InChIKey: XESZUVZBAMCAEJ-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

4-tert-Butylcatechol, in the presence of O₂ catalyzed by tyrosinase, yields 4-tert-butyl-o-benzoquinone[1]. Electrochemical oxidation of 4-tert-butylcatechol in the presence of 4-hydroxycoumarin as nucleophile has been studied using cyclic voltammetry and controlled-potential coulometry[2]. It undergoes electrochemical trimerization via anodic oxidation and mechanism of trimerization has been studied using cyclic voltammetry and controlled-potential coulometry[3].

Anwendung

• 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).

Sicherheitshinweise

• Piktogramme: GHS05,GHS07,GHS09
• Signalwort: Danger
• H-Sätze: H302 + H312,H314,H317,H410
• P-Sätze: P260 - P273 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Gefahreneinstufungen: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1
• Lagerklassenschlüssel: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flammpunkt (°F): 235.4 °F - closed cup
• Flammpunkt (°C): 113 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges