4-tert-Butylcatechol
ALDRICH/19670 - ≥97.0% (HPLC)
Synonym: 4-
CAS Number: 98-29-3
Empirical Formula (Hill Notation): C10H14O2
Molecular Weight: 166.22
EC Number: 202-653-9
MDL Number: MFCD00002201
Linear Formula: (CH3)3CC6H3-1,2-(OH)2
Product Type: Chemical
| assay | ≥97.0% (HPLC) |
| bp | 285 °C (lit.) |
| InChI | 1S/C10H14O2/c1-10(2,3)7-4 |
| InChI key | XESZUVZBAMCAEJ-UHFFFAOYSA |
| mp | 52-55 °C (lit.) |
| 53-58 °C | |
| Quality Level | 200  |
| SMILES string | CC(C)(C)c1ccc(O)c(O)c1 |
| solubility | methanol: soluble 1 g/10 mL, clear, colorless to slightly yellow |
| 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-dihydr ).• 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 ). |
| 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. |
| Packaging: | 100, 500 g in glass bottle |
| Symbol |    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 Codes | C,N |
| Risk Statements | 21/22-34-43-50/53 |
| Safety Statements | 26-36/37/39-45-60-61 |
| RIDADR | UN3261 - class 8 - PG 2 - EHS - Corrosive solid, acidic, organic |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113 °C - closed cup |
| Purity | ≥97.0% (HPLC) |
| bp | 285 °C (lit.) |
| mp | 52-55 °C (lit.); 53-58 °C |
| UNSPSC | 12352100 |