4-tert-Butylcatechol
ALDRICH/19671 - ≥99.0%
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 | ≥99.0% |
| bp | 285 °C (lit.) |
| form | powder |
| InChI | 1S/C10H14O2/c1-10(2,3)7-4 |
| InChI key | XESZUVZBAMCAEJ-UHFFFAOYSA |
| mp | 52-55 °C (lit.) |
| 56-58 °C | |
| Quality Level | 100  |
| SMILES string | CC(C)(C)c1ccc(O)c(O)c1 |
| solubility | methanol: soluble 1 g/10 mL, clear, colorless |
| 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  ). |
| 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 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 | ≥99.0% |
| bp | 285 °C (lit.) |
| mp | 52-55 °C (lit.); 56-58 °C |
| UNSPSC | 12352100 |