4-tert-Butylphenol
4-tert-Butylphenol structure
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Common Name | 4-tert-Butylphenol | ||
|---|---|---|---|---|
| CAS Number | 98-54-4 | Molecular Weight | 150.218 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 233.7±9.0 °C at 760 mmHg | |
| Molecular Formula | C10H14O | Melting Point | 96-101 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 110.9±8.2 °C | |
| Symbol |
GHS05, GHS08, GHS09 |
Signal Word | Danger | |
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The EpiOcular Eye Irritation Test (EIT) for hazard identification and labelling of eye irritating chemicals: protocol optimisation for solid materials and the results after extended shipment.
Altern. Lab. Anim. 43 , 101-27, (2015) The 7th Amendment to the EU Cosmetics Directive and the EU REACH Regulation have reinforced the need for in vitro ocular test methods. Validated in vitro ocular toxicity tests that can predict the human response to chemicals, cosmetics and other consumer prod... |
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Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins
Bioorg. Med. Chem. 17 , 896-904, (2009) This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the mole... |
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Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).
J. Med. Chem. 48 , 3269-79, (2005) Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in the... |
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A convenient screening method to differentiate phenolic skin whitening tyrosinase inhibitors from leukoderma-inducing phenols.
J. Dermatol. Sci. 80 , 18-24, (2015) Tyrosinase is able to oxidize a great number of phenols and catechols to form ortho-quinones. Ortho-quinones are highly reactive compounds that exert cytotoxicity through binding with thiol enzymes and the production of reactive oxygen species. Certain phenol... |
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Solid phase analytical derivatization of anthropogenic and natural phenolic estrogen mimics with pentafluoropyridine for gas chromatography-mass spectrometry.
J. Chromatogr. A. 1218(51) , 9135-41, (2011) A simple, low cost, fast and sensitive method is reported for the determination of the four endocrine disrupting chemicals (EDCs) 4-tert-butylphenol, 4-tert-octylphenol, bisphenol A and 17β-estradiol using pentafluoropyridine as the derivatizing reagent. Thes... |
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Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.
J. Med. Chem. 48 , 7234-42, (2005) In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspase activity by 50% (I50) and utilized these data to develop ... |
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Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.
J. Med. Chem. 48 , 5666-74, (2005) We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular dynamics simulations, and linear-interaction energy analysis... |
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Automated direct-immersion solid-phase microextraction using crosslinked polymeric ionic liquid sorbent coatings for the determination of water pollutants by gas chromatography.
Anal. Bioanal. Chem 407 , 4615-27, (2015) Four different crosslinked polymeric ionic liquid (PIL)-based sorbent coatings were evaluated in an automated direct-immersion solid-phase microextraction method (automated DI-SPME) in combination with gas chromatography (GC). The crosslinked PIL coatings wer... |
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[Induction of occupational leucoderma and vitiligo. Can butylated hydroxytoluene induce vitiligo similarly to p-tert-butylphenol?].
Hautarzt 62(3) , 209-14, (2011) While vitiligo is usually idiopathic, some cases are caused by chemicals. If occupational exposure to p-tert-butylphenol (ptBP) leads to vitiligo, the legal requirements for occupational disease Nr. 1314 can be fulfilled in Germany. Chemicals of similar struc... |
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A sensitive and efficient method for trace analysis of some phenolic compounds using simultaneous derivatization and air-assisted liquid-liquid microextraction from human urine and plasma samples followed by gas chromatography-nitrogen phosphorous detection.
Biomed. Chromatogr. 29 , 1921-31, (2015) In present study, a simultaneous derivatization and air-assisted liquid-liquid microextraction method combined with gas chromatography-nitrogen phosphorous detection has been developed for the determination of some phenolic compounds in biological samples. Th... |