- 3-tert-Butylphenol
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- $5.00
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2026-05-28
- CAS:585-34-2
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: 10000kg
- 3-tert-Butylphenol
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-
2026-03-20
- CAS:585-34-2
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: 20 mt
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| | 3-tert-Butylphenol Basic information | | Synthesis |
| | 3-tert-Butylphenol Chemical Properties |
| Melting point | 44-46 °C (lit.) | | Boiling point | 125-130 °C/20 mmHg (lit.) | | density | 0.9688 (estimate) | | refractive index | 1.5108 (estimate) | | Fp | 228 °F | | storage temp. | Inert atmosphere,Room Temperature | | Water Solubility | Practically insoluble in water | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Crystalline Powder | | pka | 10.12(at 25℃) | | color | White to almost white | | Henry's Law Constant | 5.1×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) | | InChI | 1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3 | | InChIKey | CYEKUDPFXBLGHH-UHFFFAOYSA-N | | SMILES | CC(C)(C)c1cccc(O)c1 | | LogP | 3.300 | | CAS DataBase Reference | 585-34-2(CAS DataBase Reference) | | NIST Chemistry Reference | Phenol, m-tert-butyl-(585-34-2) | | EPA Substance Registry System | m-tert-Butylphenol (585-34-2) |
| Hazard Codes | C | | Risk Statements | 34-20/21/22 | | Safety Statements | 26-27-28-36/37/39-45 | | RIDADR | UN 2430 8/PG 3 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29071990 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Eye Dam. 1
Skin Corr. 1B |
| | 3-tert-Butylphenol Usage And Synthesis |
| Synthesis | Methyl trifluoromethanesulfonate (0.88 mmol) was added to a solution of 2-(3-(pentane-3-yl)phenoxy)pyridine in dry toluene, and the solution was stirred at 100°C for 2 hours under N2 atmosphere. The reaction mixture was cooled to ambient temperature, the solvent was evaporated under vacuum, the crude product was dissolved in dry methanol, and a solution of metallic sodium (12 mmol) in dry methanol was added under N2 atmosphere. The reaction mixture was heated to reflux for 15 minutes, and then cooled to room temperature. After the reaction was complete, the solvent was evaporated under vacuum and water (70 mL) was added. The reaction mixture was extracted with ethyl acetate (50 mL × 3), the combined organic layers were dried on anhydrous Na2SO4, the solution was concentrated under vacuum, and the residue was purified by silica gel column chromatography (PE/EtOAc 6:1 as eluent) to give 3-tert-butylphenol.
 Figure 3. Synthetic Route of 3-tert-Butylphenol | | Chemical Properties | WHITE TO ALMOST WHITE CRYSTALLINE POWDER | | Uses | 3-tert-Butylphenol has been used to study the effect of alkyl group on the phenol ring on the estrogenic potency of alkylphenolic compounds in the yeast screen. | | Definition | ChEBI: 3-tert-Butylphenol is an alkylbenzene. | | Synthesis Reference(s) | Journal of the American Chemical Society, 83, p. 2507, 1961 DOI: 10.1021/ja01472a021 | | General Description | 3-tert-Butylphenol undergoes stereoselective hydrogenation over charcoal-supported rhodium catalyst in supercritical carbon dioxide solvent. |
| | 3-tert-Butylphenol Preparation Products And Raw materials |
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