2-tert-butyl-6-methyl phenol
phenol, 2-(1,1-dimethylethyl)-6-methyl-
Identification
| Name | 2-tert-butyl-6-methyl phenol |
| IUPAC | 2-tert-butyl-6-methylphenol |
| CAS Number | 2219-82-1 |
| EINECS | 218-734-7 |
| FDA UNII | LT9E3VZD1C |
| Molecular Formula | C11 H16 O |
| Molecular Weight | 164.24772000 |
| MDL Number | MFCD00002239 |
| Nikkaji Number | J79.089C |
| Beilstein | 1862362 |
| XlogP3 | 3.60 (est) |
Regulatory
Physical Properties
| Appearance | pale yellow clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.96700 @ 25.00 °C. |
| Refractive Index | 1.51900 @ 20.00 °C. |
| Melting Point | 30.00 to 32.00 °C. @ 760.00 mm Hg |
| Boiling Point | 230.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.053000 mmHg @ 25.00 °C. (est) |
| Flash Point | 225.00 °F. TCC ( 107.22 °C. ) |
| logP (o/w) | 3.773 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 92 hour(s) at 10.00 % in dipropylene glycol |
| Odor Description | at 100.00 %. |
| Odor sample from | Sigma-Aldrich |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | intravenous-mouse LD50 120 mg/kg |
| 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 | fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 2-tert-butyl-6-methyl phenol usage levels up to | 0.0200 % in the fragrance concentrate. |
| Recommendation for 2-tert-butyl-6-methyl phenol flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
2-tert-
butyl-2-methylphenol
6-t-
butyl-2-methylphenol
6-tert-
butyl-2-methylphenol
2-tert-
butyl-6-methyl-phenol
2-tert-
butyl-6-methylphenol
6-tert-
butyl-o-cresol
o-tert-
butyl-o-cresol
6-tert-
butyl-ortho-cresol
6-(tert-
butyl)-2-methylphenol
o-
cresol, 6-tert-butyl-
2-(1,1-
dimethylethyl)-6-methylphenol
2-
methyl-6-tert-butyl phenol
phenol, 2- (1,1-dimethylethyl)-6-methyl-
phenol, 2-(1,1-dimethylethyl)-6-methyl-
phenol, 2-t-butyl-6-methyl-
phenol, 2-tert-butyl-6-methyl-
PubMed:
Formation of the N-methylpyridinium ether derivative of propofol to improve sensitivity, specificity and reproducibility of its detection in blood by liquid chromatography-mass spectrometry.
PubMed:
Glucuronidation of propofol and its analogs by human and rat liver microsomes.
PubMed:
Anaerobic biodegradability of alkylphenols and fuel oxygenates in the presence of alternative electron acceptors.
PubMed:
Capillary gas chromatographic assay of camphor and m-cresol in dermatological creams.
PubMed:
Influence of quinone methide reactivity on the alkylation of thiol and amino groups in proteins: studies utilizing amino acid and peptide models.
PubMed:
The enzymatic formation and chemical reactivity of quinone methides correlate with alkylphenol-induced toxicity in rat hepatocytes.