3-tert-Butylphenol
- CAS NO.：585-34-2
- Empirical Formula: C10H14O
- Molecular Weight: 150.22
- MDL number: MFCD00002300
- EINECS: 209-553-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-09-25 17:15:13
What is 3-tert-Butylphenol?
Chemical properties
WHITE TO ALMOST WHITE CRYSTALLINE POWDER
The Uses of 3-tert-Butylphenol
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.
Properties of 3-tert-Butylphenol
| Melting point: | 44-46 °C (lit.) |
| Boiling point: | 125-130 °C/20 mmHg (lit.) |
| Density | 0.9688 (estimate) |
| refractive index | 1.5108 (estimate) |
| Flash point: | 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 |
| 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) |
Safety information for 3-tert-Butylphenol
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-tert-Butylphenol
| InChIKey | CYEKUDPFXBLGHH-UHFFFAOYSA-N |
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