Month: September 2022

Recommanded Product: 4-tert-OctylphenolIn 2021, Fan, Juntao;Huang, Guoxian;Chi, Minghui;Shi, Yao;Jiang, Jinyuan;Feng, Chaoyang;Yan, Zhenguang;Xu, Zongxue published 《Prediction of chemical reproductive toxicity to aquatic species using a machine learning model: An application in an ecological risk assessment of the Yangtze River, China》. 《Science of the Total Environment》published the findings. The article contains the following contents:

The endocrine disrupting chems. (EDCs) have been at the forefront of environmental issues for over 20 years and are a principle factor considered in every ecol. risk assessment, but this kind of risk assessment faces difficulties. The expense, time cost of in vivo tests, and lack of toxicity data are key limiting factors for the ability to conduct ecol. risk assessments of EDCs to aquatic species. In this study, a machine learning model named the support vector machine (SVM) was used to predict the reproductive toxicity of EDCs, and the performance of the models was evaluated. The results showed that the SVM model provided more accurate toxicity prediction data compared with the interspecies correlation estimation (ICE) model developed by previous study to predict the reproductive toxicity. The application of the predicted toxicity data was an important supplement to the observed data for the ecol. risk assessment of EDCs in the Yangtze River, where estrogens and phenolic compounds have been found at some sampling sites in the middle and lower reaches. The results showed that the ecol. risk of estrone, 17β-estradiol, and ethinyl estradiol were significant. This study revealed the application potential of machine learning models for the prediction of reproductive toxicity effects of EDCs. This can provide reliable alternative toxicity data for the ecol. risk assessments of EDCs. To complete the study, the researchers used 4-tert-Octylphenol (cas: 140-66-9) .

4-tert-Octylphenol(cas: 140-66-9) is a common environmental pollutant showing weak estrogenic effects.Recommanded Product: 4-tert-Octylphenol It has been shown to cause harm to vertebrate male reproductive systems.

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Computed Properties of C14H22O《Ecotoxicological Estimation of 4-Cumylphenol, 4-t-Octylphenol, Nonylphenol, and Volatile Leachate Phenol Degradation by the Microscopic Fungus Umbelopsis isabellina Using a Battery of Biotests》 was published in 2022. The authors were Janicki, Tomasz;Dlugonski, Andrzej;Felczak, Aleksandra;Dlugonski, Jerzy;Krupinski, Mariusz, and the article was included in《International Journal of Environmental Research and Public Health》. The author mentioned the following in the article:

The phenolic xenobiotics nonylphenol (NP), 4-tert-octylphenol (4-t-OP), and 4-cumylphenol (4-CP) have the potential to seriously disrupt the endocrine system. Volatile phenols (VPs), especially those present in landfill leachate, also adversely affect the health of numerous organisms. Microbial degradation of xenobiotics can result in the formation of intermediates with higher toxicity than the precursor substrates. Therefore, the main aim of this study was to assess the changes in environmental ecotoxicity during the biotransformation of nonylphenol, 4-tert-octylphenol, 4-cumylphenol and volatile phenols by Umbelopsis isabellina using a battery of biotests. The application of bioindicators belonging to different taxonomic groups and diverse trophic levels (producers, consumers, and reducers) indicated a significant reduction in toxicity during the cultivation of fungus cultures both for nonylphenol, 4-tert-octylphenol, 4-cumylphenol and volatile phenols. The rate of toxicity decline was correlated with the degree of xenobiotic biotransformation. Removal of 4-cumylphenol and 4-tert-octylphenol also led to a decrease in the anti-androgenic potential. Moreover, this is the first report demonstrating the anti-androgenic properties of 4-cumylphenol. The results showed that U. isabellina is an attractive tool for the bioremediation and detoxification of contaminated environments. And 4-tert-Octylphenol (cas: 140-66-9) was used in the research process.

4-tert-Octylphenol(cas: 140-66-9) has been used as a reference standard for the determination of the analyte in water samples using ultra-high-performance liquid chromatography/tandem mass spectrometry (UHPLC/MS/MS).Computed Properties of C14H22O

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Related Products of 140-66-9《Advanced oxidation of landfill leachate: Removal of micropollutants and identification of by-products》 was published in 2021. The authors were Ates, Havva;Argun, Mehmet Emin, and the article was included in《Journal of Hazardous Materials》. The author mentioned the following in the article:

Landfill leachate contains several macropollutants and micropollutants that cannot be removed efficiently by conventional treatment processes. Therefore, an advanced oxidation process is a promising step in post or pre-treatment of leachate. In this study, the effects of Fenton and ozone oxidation on the removal of 16 emerging micropollutants including polycyclic aromatic hydrocarbons (PAHs), phthalates, alkylphenols and pesticides were investigated. The Fenton and ozone oxidation of the leachate were performed with four (reaction time: 20-90 min, Fe(II) dose: 0.51-2.55 g/L, H₂O₂ dose: 5.1-25.5 g/L and pH: 3-5) and two (ozonation time: 10-130 min and pH: 4-10) independent variables, resp. Among these operating conditions, reaction time played more significant role (p-value < 0.05) in eliminating di-(2-Ethylhexyl) phthalate, 4-nonylphenol and 4-tert-octylphenol for both processes. The results showed that Fenton and ozone oxidation processes had a high degradation potential for micropollutants except for the PAHs including four and more rings. Removal efficiencies of micropollutants by ozone and Fenton oxidation were determined in the range of 5-100%. Although the removal efficiencies of COD (COD) and some micropollutants such as phthalates were found much higher in the Fenton process than ozonation, the degradation products occurred during the Fenton oxidation were a higher mol. weight Moreover, the oxidation intermediates for the both processes were found as mainly benzaldehyde, pentanoic acid and hydro cinnamic acid as well as derivatives of naphthalenone and naphthalenediol. Also, acid ester with higher mol. weight, naphthalene-based and phenolic compounds were detected in the Fenton oxidation4-tert-Octylphenol (cas: 140-66-9) were involved in the experimental procedure.

4-tert-Octylphenol(cas: 140-66-9) has been used as a reference standard for the determination of the analyte in water samples using ultra-high-performance liquid chromatography/tandem mass spectrometry (UHPLC/MS/MS).Related Products of 140-66-9

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Catel, Yohann;Angermann, Jorg;Fassler, Pascal;Fischer, Urs;Schnur, Thomas;Moszner, Norbert published 《High refractive index monofunctional monomers as promising diluents for dental composites》. The research results were published in《Dental Materials》 in 2021.Synthetic Route of C15H16O The article conveys some information:

To evaluate high refractive index methacrylates as diluents for the formulation of radiopaque esthetic bulk-fill composites.2-(4-Cumylphenoxy)ethyl methacrylate 1, 2-(2-phenylphenoxy)ethyl methacrylate 2 and 2-[2-(2-phenylphenoxy)ethoxy]ethyl methacrylate 3 were synthesized and characterized by ¹H NMR spectroscopy. The reactivity of each monomer was studied using photo-DSC. Bulk-fill composites based on monomers 1-3 were formulated. Translucency (before and after light cure) was measured using a spectrophotometer. The depth of cure and the water sorption of these materials were determined according to ISO 4049. The flexural strength and modulus of elasticity were measured using a three-point bending setup, according to ISO 4049. The shrinkage force was assessed based on a method described by Watts et al. using a universal testing machine.Monomers 1-3 were easily synthesized in two steps. They exhibit a low viscosity and a high refractive index (1.553-1.573). Monofunctional methacrylates 1-3 were found to be more reactive than triethylene glycol dimethacrylate (TEGDMA). Bulk-fill composites based on these monomers were successfully prepared They exhibit a high depth of cure and excellent esthetic properties (low transparency). These composites provide higher flexural modulus as well as lower water sorption than a corresponding material based on TEGDMA. Methacrylates 1 and 3 are particularly interesting as they led to composites showing lower shrinkage force.Methacrylates 1-3 are promising diluents for the formulation of highly esthetic radiopaque bulk-fill composites. To complete the study, the researchers used 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.Synthetic Route of C15H16O 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

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Computed Properties of C8H18O2In 2013, Kojima, Hajime;Hayashi, Kazuhiko;Sakaguchi, Hitoshi;Omori, Takashi;Otoizumi, Takuya;Sozu, Takashi;Kuwahara, Hirofumi;Hayashi, Takumi;Sakaguchi, Mayumi;Toyoda, Akemi;Goto, Haruka;Watanabe, Shinichi;Ahiko, Kyoko;Nakamura, Tsuneaki;Morimoto, Takashi published 《Second-phase validation study of short time exposure test for assessment of eye irritation potency of chemicals》. 《Toxicology In Vitro》published the findings. The article contains the following contents:

A Short Time Exposure (STE) test is a cytotoxicity test that uses SIRC cells (rabbit corneal cell line) to assess eye irritation potency following a 5-min chem. exposure. This second-phase validation study assessed the predictive capacity of the STE test using 40 coded test substances at three laboratories A Validation Management Team (VMT) then evaluated the predictivity of the STE test for United Nation (UN) Globally Harmonized System (GHS) categories using 63 test substances including the results of the first-phase validation study. The STE test can assess not only the severe or corrosive ocular irritants (corresponding to the UN GHS Category 1) but also non-irritant (corresponding to UN GHS Non Category) from other toxicity classes, especially for limited types of test substances. The predictivity by STE test, however, was insufficient for identification of UN GHS categories (Category 1, Category 2, or Non Category). These results suggest that the STE test can be recommended as an initial step in a top-down approach to identification of severe irritants and test substances that require classification for eye irritation (UN GHS Category 1) as well as an initial step in a bottom-up approach to identification of test substances that do not require classification for eye irritation (UN GHS Non Category) from other toxicity classes, especially for limited types of test substances. The STE test is not considered adequate for the identification of mild or moderate irritants (i.e., UN GHS Categories 2A and 2B) and severe irritants (UN GHS Category 1).2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) were involved in the experimental procedure.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds.Computed Properties of C8H18O2

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Product Details of 80-46-6In 2022, Hites, Ronald A. published 《Mass Spectrometric Identification of Pollutants in the Environment: A Personal and Bibliometric Perspective》. 《Journal of the American Society for Mass Spectrometry》published the findings. The article contains the following contents:

The nontarget identification of unsuspected organic pollutants in the environment is a topic of current interest, but it is not a new idea. Our laboratory has been engaged in this work for 50 years, and thus, it is timely to ask if our nontarget identifications of pollutants has mattered. The tool used to answer this question is the citation chronologies of several sets of nontarget identification papers we have published. Our papers on polycyclic aromatic hydrocarbons (1800 citations since 1972) and on halogenated flame retardants in the Great Lakes (800 citations since 2005) have clearly led to further work on the environmental sources and fates of these compounds On the other hand, our papers on trifluoromethyl chlorobenzene derivatives in the Niagara River (170 citations since 1982) and on several alkyl phenols in the Detroit River (90 citations since 1991) have not led to further work. The attention that our identifications of polycyclic aromatic hydrocarbons and unusual flame retardants received was probably due to the known toxicity and environmental persistence of some of these compounds On the other hand, our identifications of some compounds in the Niagara and Detroit Rivers may have been too site specific to attract much attention. We suggest that simply publishing lists of newly identified compounds in the environment, even if they have been well-characterized, is not necessarily enough. Readers need a reason to focus on a particular result; probably, the most significant reasons for such attention are a compound’s toxicity and environmental persistence. The experimental procedure involved many compounds, such as 4-tert-Amylphenol (cas: 80-46-6) .

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. Owing to the presence of the polar OH alcohols are more water-soluble than simple hydrocarbons. Methanol, ethanol, and propanol are miscible in water. Butanol, with a four-carbon chain, is moderately soluble.Product Details of 80-46-6

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Name: rel-(1R,2S)-1,2-Diphenylethane-1,2-diolIn 2020, Luca, Lorena De;Mezzetti, Antonio published 《Chiral Benzoins via Asymmetric Transfer Hemihydrogenation of Benzils: The Detail that Matters》. 《Journal of Organic Chemistry》published the findings. The article contains the following contents:

The synthesis of enantiomerically pure benzoins by hydrogenation of readily available benzils was long thwarted by their base sensitivity. It was shown here that an iron(II) hydride complex catalyzes the asym. transfer hydrogenation of benzils from 2-propanol. When strictly base-free conditions are granted, excellent enantioselectivity was achieved even with o-substituted substrates, which are particularly challenging to prepare with other methods. Hence, under optimized reaction conditions, chiral benzoins were prepared in good yields (up to 83%) and excellent enantioselectivity (up to 98% ee) in short reaction times (30-75 min). Also, this work confirms that both enantiomers of the benzoin products can be accessed when a metal catalyst is used, which is a clear advantage over enzymic methods. To complete the study, the researchers used rel-(1R,2S)-1,2-Diphenylethane-1,2-diol (cas: 579-43-1) .

Desymmetrization of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol(cas:579-43-1 Name: rel-(1R,2S)-1,2-Diphenylethane-1,2-diol) using chiral phosphine catalyst has been reported. Conversion of meso-hydrobenzoin to trans-stillbene oxide by treatment with an aryl sulfonyl chloride and aqueous sodium hydroxide has been reported.

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Bhardwaj, Nitish Rattan;Kumar, J. published 《Characterization of volatile secondary metabolites from Trichoderma asperellum》. The research results were published in《Journal of Applied and Natural Science》 in 2017.Application In Synthesis of 4-tert-Amylphenol The article conveys some information:

Many Trichoderma isolates are known to secrete several secondary metabolites with different biol. activities towards plants and other microbes. The production of such compounds varies according to the strain. In the present study, volatile secondary metabolites from the culture filtrate of Trichoderma asperellum strain were characterized using Gas chromatog.-Mass spectrometry (GC-MS). Results of GC-MS detected 43 secondary metabolites in the T. asperellum strain including many important volatile secondary metabolites such as 1,2- Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl Bu ester (peak area-3.59%), 1,2-Benzenedicarboxylic acid di-Bu ester (peak area-2.02 %), 2H-Pyran-2-one (peak area-66.63 %), palmitic acid (peak area-2.86 %), several phenolic isomers, Me cyclohexane etc., all reportedly having effective pesticidal activity. The results indicated that these secondary metabolites could be useful for biol. control applications of T. asperellum strain against diverse plant pathogens. And 4-tert-Amylphenol (cas: 80-46-6) was used in the research process.

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group.Some low molecular weight alcohols of industrial importance are produced by the addition of water to alkenes. Ethanol, isopropanol, 2-butanol, and tert-butanol are produced by this general method. Application In Synthesis of 4-tert-Amylphenol

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Horton, R. W.;Meldrum, B. S. published 《Preconvulsive changes in brain glucose metabolism following drugs inhibiting glutamate decarboxylase》 in 1976. The article was appeared in 《Journal of Neurochemistry》. They have made some progress in their research.Recommanded Product: 148-51-6 The article mentions the following:

DL-C-allylglycine (I) [7685-44-1], 4-deoxypyridoxine-HCl (II) [148-51-6], and DL-methionine-D-sulfoximine (III) (180, 250, and 300 mg/kg resp., i.p.) each induced preconvulsive increases in the brain glucose [50-99-7] concentration of mice at room temperature; II and III also increased brain glycogen [9005-79-2] concentrations in room-temperature mice, but only II did so in mice maintained at 33-4°. Only with I was the increase in brain glucose concentration associated with an increase in blood glucose concentration I, II, III, or isoniazid [54-85-3] (150 mg/kg) reduced rectal temperature in mice at room temperature but not those at 33-4°. Isoniazid reduced brain glucose and glycogen concentrations in mice at 33-4°, but did not affect mice at room temperature The relation between the effects of these drugs on brain carbohydrates and amino acid metabolism is discussed. To complete the study, the researchers used 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride (cas: 148-51-6) .

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(cas:148-51-6 Recommanded Product: 148-51-6) is a vitamin B6 antimetabolite with diverse biological activities. It inhibits transport of pyridoxine , pyridoxal, and pyridoxamine in and reduces growth of S. carlsbergensis cells. DOP inhibits sphingosine-1-phosphate (S1P) lyase and reduces cyclic stretch-induced apoptosis in alveolar epithelial MLE-12 cells.

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Chen, Kai;Kang, Qi-Kai;Li, Yuntong;Wu, Wen-Qiang;Zhu, Hui;Shi, Hang published 《Catalytic Amination of Phenols with Amines》. The research results were published in《Journal of the American Chemical Society》 in 2022.Reference of 4-(2-Phenylpropan-2-yl)phenol The article conveys some information:

Herein, a rhodium-catalyzed amination of phenols, which provided concise access to diverse anilines, with water as the sole byproduct was described. The arenophilic rhodium catalyst facilitated the inherently difficult keto-enol tautomerization of phenols by means of π-coordination, allowing for the subsequent dehydrative condensation with amines. The generality of this redox-neutral catalysis by carrying out reactions of a large array of phenols with various electronic properties and a wide variety of primary and secondary amines was demonstrated. Several examples of late-stage functionalization of structurally complex bioactive mols., including pharmaceuticals, further illustrated the potential broad utility of the method.4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) were involved in the experimental procedure.

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.Reference of 4-(2-Phenylpropan-2-yl)phenol 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

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