2-tert-butyl phenol
phenol, 2-(1,1-dimethylethyl)-
Identification
| Name | 2-tert-butyl phenol |
| IUPAC | 2-tert-butylphenol |
| CAS Number | 88-18-6 |
| EINECS | 201-807-2 |
| FDA UNII | NL2FPV3N0Z |
| Molecular Formula | C10 H14 O |
| Molecular Weight | 150.22078000 |
| MDL Number | MFCD00002223 |
| Nikkaji Number | J44.174K |
| Beilstein | 1907120 |
| XlogP3 | 3.30 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.98200 to 0.98500 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.181 to 8.206 |
| Refractive Index | 1.52200 to 1.52500 @ 20.00 °C. |
| Boiling Point | 223.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.100000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 3.310 |
| Soluble in | water, 700 mg/L @ 25 °C (exp) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 82 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 7450 mg/kg |
| Inhalation Toxicity | inhalation-rat LC50 1070 mg/m3/4H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | information only not used for fragrances or flavors |
| Recommendation for 2-tert-butyl phenol usage levels up to | not for fragrance use. |
| Recommendation for 2-tert-butyl phenol flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
2-tert-
butylphenol
o-tert-
butylphenol
2-(2-
methyl-2-propanyl)phenol
phenol, 2-(1,1-dimethylethyl)-
PubMed:
Nickel supported carbon nanofibers as an active and selective catalyst for the gas-phase hydrogenation of 2-tert-butylphenol.
PubMed:
Elevated susceptibility of newborn as compared with young rats to 2-tert-butylphenol and 2,4-di-tert-butylphenol toxicity.
PubMed:
Chemical category approach of genotoxicity studies for branched alkylphenols.
PubMed:
Shaping of mesoporous AISBA-15 as cylindrical nano reactor for tertiary butylation of phenol.
PubMed:
In vitro profiling of endocrine disrupting effects of phenols.
PubMed:
Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity.
PubMed:
Synthesis of 3-tert-butylcatechol by an engineered monooxygenase.
PubMed:
Preparation of metal wire supported solid-phase microextraction fiber coated with multi-walled carbon nanotubes.
PubMed:
Changing the substrate reactivity of 2-hydroxybiphenyl 3-monooxygenase from Pseudomonas azelaica HBP1 by directed evolution.
PubMed:
Determination of antioxidants in new and used lubricant oils by headspace-programmed temperature vaporization-gas chromatography-mass spectrometry.
PubMed:
Effect of glucose on the interaction of hydrophobic compounds with the alanine receptor field of Bacillus subtilis spores during initiation of germination.
PubMed:
Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1.
PubMed:
Sterically hindered phenols in negative ion mobility spectrometry-mass spectrometry.
PubMed:
Effects of dietary and in vitro 2(3)-t-butyl-4-hydroxy-anisole and other phenols on hepatic enzyme activities in mice.
PubMed:
Effect of different drugs on a cytochrome c--phospholipid bilayer membrane.
PubMed:
Thermochemical and Theoretical Study of tert-Butyl and Di-tert-butylphenol Isomers.
PubMed:
Inhibitory effects of phenolic compounds on benzo(a)pyrene-induced neoplasia.