3-tert-butyl phenol
phenol, 3-(1,1-dimethylethyl)-
Identification
| Name | 3-tert-butyl phenol |
| CAS Number | 585-34-2 |
| EINECS | 209-553-4 |
| FDA UNII | 2382U55WN2 |
| Molecular Formula | C10 H14 O |
| Molecular Weight | 150.22078000 |
| MDL Number | MFCD00002300 |
| Nikkaji Number | J47.447I |
| XlogP3 | 3.30 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 42.30 °C. @ 760.00 mm Hg |
| Boiling Point | 240.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.025000 mmHg @ 25.00 °C. (est) |
| Flash Point | 228.00 °F. TCC ( 108.89 °C. ) |
| logP (o/w) | 3.300 |
| Soluble in | water, 2070 mg/L @ 25 °C (exp) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | pharmaceuticals / chemical synthisis |
| Recommendation for 3-tert-butyl phenol usage levels up to | not for fragrance use. |
| Recommendation for 3-tert-butyl phenol flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
3-tert-
butyl-phenol
3-tert-
butylphenol
3-(1,1-
dimethylethyl)phenol
phenol, 3-(1,1-dimethylethyl)-
phenol, 3-t-butyl-
phenol, m-tert-butyl-
PubMed:
Aquatic toxicity of four alkylphenols (3-tert-butylphenol, 2-isopropylphenol, 3-isopropylphenol, and 4-isopropylphenol) and their binary mixtures to microbes, invertebrates, and fish.
PubMed:
Simultaneous measurement of urinary bisphenol A and alkylphenols by automated solid-phase extractive derivatization gas chromatography/mass spectrometry.
PubMed:
Thermochemical and Theoretical Study of tert-Butyl and Di-tert-butylphenol Isomers.