Month: September 2022

Seyidoglu, Tijen;Bohn, Manfred A. published 《Effects of four isocyanates and four plasticizers on the thermomechanical and tensile properties of hydroxyl-terminated polybutadiene elastomers and the effect of solid particle filling》. The research results were published in《Journal of Applied Polymer Science》 in 2021.Name: 2,2-Methylenebis(6-tert-butyl-p-cresol) The article conveys some information:

The aim of this study is to analyze effect of four different isocyanates and four different plasticizers in hydroxyl-terminated polybutadiene (HTPB) based elastomers by quant. anal. of the shape of the loss factor (tan δ), tensile strength, deformation frequency shift of the maximum temperatures of loss moduli G” and of tan δ. The first part of the study shows intensities of the tan δ curves with the four isocyanates follow the order HDI > IPDI > H12MDI > Desmodur E305. By mol. modeling of the isocyanates and the corresponding polyurethane parts the influence of mol. geometry on tan δ are discussed. The second part of the study analyzes HTPB-IPDI elastomers with the four different plasticizers DOA, DOS, DOZ, and IDP. The IDP provides lowest T_g at about -83°C, while the others provide at about -78°C. In the third part, aluminum (Al-18μm) and ammonium perchlorate (AP-200μm) are added to HTPB-IPDI+DOA to analyze the effect of particle size, wt% content and particle type on the shape and intensity of the tan δ curves. From the frequency shift of the two maximum temperatures one receives activation energies Eaf. Their average values without and with plasticizer are with tan δ 178 and 165 kJ/mol and with G” 274 and 248 kJ/mol, resp. To complete the study, the researchers used 2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) .

Name: 2,2-Methylenebis(6-tert-butyl-p-cresol)2,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .

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Eggink, P. M.;Maliepaard, C.;Tikunov, Y.;Haanstra, J. P. W.;Bovy, A. G.;Visser, R. G. F. published 《A taste of sweet pepper: Volatile and non-volatile chemical composition of fresh sweet pepper (Capsicum annuum) in relation to sensory evaluation of taste》 in 2012. The article was appeared in 《Food Chemistry》. They have made some progress in their research.Application of 110-03-2 The article mentions the following:

In this study volatile and non-volatile compounds, as well as some breeding parameters, were measured in mature fruits of elite sweet pepper (Capsicum annuum) lines and hybrids from a com. breeding program, several cultivated genotypes and one gene bank accession. In addition, all genotypes were evaluated for taste by a trained descriptive sensory expert panel. Metabolic contrasts between genotypes were caused by clusters of volatile and non-volatile compounds, which could be related to metabolic pathways and common biochem. precursors. Clusters of phenolic derivatives, higher alkanes, sesquiterpenes and lipid derived volatiles formed the major determinants of the genotypic differences. Flavor was described with the use of 14 taste attributes, of which the texture related attributes and the sweet-sour contrast were the most discriminatory factors. The attributes juiciness, toughness, crunchiness, stickiness, sweetness, aroma, sourness and fruity/apple taste could be significantly predicted with combined volatile and non-volatile data. Fructose and (E)-2-hexen-1-ol were highly correlated with aroma, fruity/apple taste and sweetness. New relations were found for fruity/apple taste and sweetness with the compounds p-menth-1-en-9-al, (E)-β-ocimene, (Z)-2-penten-1-ol and (E)-geranylacetone. Based on the overall biochem. and sensory results, the perspectives for flavor improvement by breeding are discussed.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) on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.Application of 110-03-2

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Rahman, Mahmudur Md;Kim, Ki-Hyun published 《Potential hazard of volatile organic compounds contained in household spray products》 in 2014. The article was appeared in 《Atmospheric Environment》. They have made some progress in their research.Quality Control of 3,7-Dimethyloctan-3-ol The article mentions the following:

To assess the exposure levels of hazardous volatile pollutants released from common household spray products, a total of 10 spray products consisting of six body spray and four air spray products have been investigated. The body spray products included insect repellents (two different products), medicated patch, deodorant, hair spray, and humectant, whereas the air spray products included two different insecticides (mosquito and/or cockroach), antibacterial spray, and air freshener. The main objective of this study was to measure concentrations of 15 model volatile organic compounds (VOCs) using GC/MS coupled with a thermal desorber. In addition, up to 34 ‘compounds lacking authentic standards or surrogates (CLASS)’ were also quantified based on the effective carbon number (ECN) theory. According to our anal., the most common indoor pollutants like benzene, toluene, styrene, Me Et ketone, and Bu acetate have been detected frequently in the majority of spray products with the concentration range of 5.3-125 mg L^-1. If one assumes that the amount of spray products released into air reaches the 0.3 mL level for a given space size of 5 m³, the risk factor is expected to exceed the carcinogenic risk level set for benzene (10^-5) by the U. S. EPA. The experimental procedure involved many compounds, such as 3,7-Dimethyloctan-3-ol (cas: 78-69-3) .

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Quality Control of 3,7-Dimethyloctan-3-ol Metabolite observed in cancer metabolism. It has a role as a human metabolite.

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Computed Properties of C14H14O2In 2019, Urata, Sari;Nojima, Shinya;Makino, Kazuishi;Shimada, Naoyuki published 《An Efficient Deprotection of 2,6-Bis(trifluoromethyl)phenylboronic Esters via Catalytic Protodeboronation Using Tetrabutylammonium Fluoride》. 《Synlett》published the findings. The article contains the following contents:

An efficient deprotection of 2,6-bis(trifluoromethyl)phenylboronic esters, which served as effective protective groups for 1,2- or 1,3-diols in various organic transformations, via protodeboronation by using a catalytic amount of tetrabutylammonium fluoride (TBAF) was described. The experimental procedure involved many compounds, such as rel-(1R,2S)-1,2-Diphenylethane-1,2-diol (cas: 579-43-1) .

rel-(1R,2S)-1,2-Diphenylethane-1,2-diol(cas: 579-43-1 Computed Properties of C14H14O2) has been used in the preparation of trans-methyl meso-hydrobenzoin phosphite.

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HPLC of Formula: 119-47-1《The High Complexity of Plastic Additives in Hand Wipes》 was published in 2021. The authors were Chen, Yukun;Shi, Yumeng;Liu, Xiaotu;Liu, Runzeng;Chen, Da, and the article was included in《Environmental Science & Technology Letters》. The author mentioned the following in the article:

Extensive and long-term applications have resulted in global distributions of plastic additives (PAs). To facilitate the understanding of human exposure to PAs, the present study investigated the abundances and profiles of a broad range of PAs on human hands via hand wipe sampling. Sixty out of 160 PAs were detected in >50% of hand wipes collected from 30 children and 45 adults, among which a number of organophosphate esters (OPEs) and synthetic antioxidants that have rarely or never been investigated in prior studies. The total masses of PAs ranged from 650 to 87 030 ng (median: 6110 ng) and 1230 to 19360 ng (median: 5600 ng) in adults′ and children′s hand wipes, resp. By categories, phthalates (PAEs) represented the most abundant group of PAs, followed by non-PAE plasticizers, UV stabilizers, OPEs, antioxidants, and bisphenol analogs. Children exhibited greater PA levels per square centimeter of hand surface, indicating elevated exposure compared with adults. Strong correlations existed for many PAs between adults and children or within each subpopulation, indicating close connections between the two subpopulations in the exposure profiles. The great complexity of plastic additives on hands raises the need for future investigations on human exposure pathways and potential health risks from the “cocktail” effects. The experimental procedure involved many compounds, such as 2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) .

HPLC of Formula: 119-47-12,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .

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Ochoa, Cristian;Solinski, Amy E.;Nowlan, Marcus;Dekarske, Madeline M.;Wuest, William M.;Kozlowski, Marisa C. published 《A Bisphenolic Honokiol Analog Outcompetes Oral Antimicrobial Agent Cetylpyridinium Chloride via a Membrane-Associated Mechanism》 in 2020. The article was appeared in 《ACS Infectious Diseases》. They have made some progress in their research.Related Products of 579-43-1 The article mentions the following:

Targeting Streptococcus mutans is the primary focus in reducing dental caries, one of the most common maladies in the world. Previously, our groups discovered a potent bactericidal biaryl compound that was inspired by the natural product honokiol. Herein, a structure activity relationship (SAR) study to ascertain structural motifs key to inhibition is outlined. Furthermore, mechanism studies show that bacterial membrane disruption is central to the bacterial growth inhibition. During this process, it was discovered that analog C2 demonstrated a 4-fold better therapeutic index compared to the com. available antimicrobial cetylpyridinium chloride (CPC) making it a viable alternative for oral care. 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 Related Products of 579-43-1) 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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Duijndam, Britt;Goudriaan, Annabel;van den Hoorn, Tineke;van der Stel, Wanda;Le Devedec, Sylvia;Bouwman, Peter;van der Laan, Jan Willem;van de Water, Bob published 《Physiologically relevant estrogen receptor alpha pathway reporters for single-cell imaging-based carcinogenic hazard assessment of estrogenic compounds》 in 2021. The article was appeared in 《Toxicological Sciences》. They have made some progress in their research.Name: 4-(2-Phenylpropan-2-yl)phenol The article mentions the following:

Estrogen receptor alpha (ERα) belongs to the nuclear hormone receptor family of ligand-inducible transcription factors and regulates gene networks in biol. processes such as cell growth and proliferation. Disruption of these networks by chem. compounds with estrogenic activity can result in adverse outcomes such as unscheduled cell proliferation, ultimately culminating in tumor formation. To distinguish disruptive activation from normal physiol. responses, it is essential to quantify relationships between different key events leading to a particular adverse outcome. For this purpose, we established fluorescent protein MCF7 reporter cell lines for ERα-induced proliferation by bacterial artificial chromosome-based tagging of 3 ERα target genes: GREB1, PGR, and TFF1. These target genes are inducible by the non-genotoxic carcinogen and ERα agonist 17β-estradiol in an ERα-dependent manner and are essential for ERα-dependent cell-cycle progression and proliferation. The 3 GFP reporter cell lines were characterized in detail and showed different activation dynamics upon exposure to 17β-estradiol. In addition, they demonstrated specific activation in response to other established reference estrogenic compounds of different potencies, with similar sensitivities as validated OECD test methods. This study shows that these fluorescent reporter cell lines can be used to monitor the spatial and temporal dynamics of ERα pathway activation at the single-cell level for more mechanistic insight, thereby allowing a detailed assessment of the potential carcinogenic activity of estrogenic compounds in humans. 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.Name: 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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Liu, En-Chih;Topczewski, Joseph J. published 《Enantioselective Copper Catalyzed Alkyne-Azide Cycloaddition by Dynamic Kinetic Resolution》. The research results were published in《Journal of the American Chemical Society》 in 2019.Safety of (S)-2-Amino-2-(4-fluorophenyl)ethanol The article conveys some information:

In the presence of [Cu(OTf)]₂·PhMe and a nonracemic bis(chlorophenyl)pyridinebis(oxazoline), allylic azides such as I underwent enantioselective azide-alkyne cycloaddition reactions via dynamic kinetic resolution to yield nonracemic allylic triazoles such as II. A nonracemic propargyl alc. and propargyl-substituted natural products underwent enantioselective azide-alkyne cycloaddition reactions in high diastereoselectivities. The azide reactants are potentially explosive and should be handled with care; reaction mixtures should not be worked up with acid to avoid the formation of hydrazoic acid and their wastes should be kept sep. from other organic wastes. The experimental procedure involved many compounds, such as (S)-2-Amino-2-(4-fluorophenyl)ethanol (cas: 224434-01-9) .

(S) – 2-amino-2 – (4-fluorophenyl) ethanol (cas: 224434-01-9) has the characteristics of alcohol. In general, the hydroxyl group makes alcohols polar. Those groups can form hydrogen bonds to one another and to most other compounds. Safety of (S)-2-Amino-2-(4-fluorophenyl)ethanol

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Yagishita, Mayuko;Kubo, Takuya;Otsuka, Koji;Nakayama, Shoji F.;Nakajima, Daisuke published 《Development of a database strategy based on liquid chromatography-quadrupole time-of-flight mass spectrometry for the screening of 75 estrogenic chemicals from treated sewage effluent》 in 2021. The article was appeared in 《Separation Science plus》. They have made some progress in their research.Recommanded Product: 4-tert-Octylphenol The article mentions the following:

The detection of endocrine disrupting chems. such as estrogenic compounds in environmental samples is a hot topic of research. In this context, this study describes a new screening method for 75 estrogenic chems. from environmental water samples based on two databases built from the data obtained from liquid chromatog. with quadrupole time-of-flight mass spectrometry. A first database, named ”DATABASE I,” is constructed from the retention time and m/z of mol. weight-related ions with measured accurate mass of the 75 estrogenic chems. A second database, ”DATABASE II,” includes the collision-induced fragmentation spectra with measured accurate mass of the compounds These databases are resp. applied for a rough screening and precise identification of the estrogenic chems. of sewage effluents as follows: Step (1): A treated sewage effluent sample is subjected to anal. using the time-of-flight scan mode, and a rough screening using DATABASE I is performed. Step (2): The obtained candidate estrogenic chems. by step 1 are measured using the targeted tandem mass spectrometry mode in which collision energy dependence fragmentations of them are induced. The resulting fragmentation mass spectra are screened using DATABASE II. The application of these two databases improved the accuracy in the identification of estrogenic chems., reducing the risk of misidentification. The experimental procedure involved many compounds, such as 4-tert-Octylphenol (cas: 140-66-9) .

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).Recommanded Product: 4-tert-Octylphenol

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COA of Formula: C23H32O2In 2021, Pontoni, Ludovico;Roviello, Valentina;Race, Marco;Savignano, Luigi;van Hullebusch, Eric D.;Esposito, Giovanni;Pirozzi, Francesco;Fabbricino, Massimiliano published 《Supramolecular aggregation of colloidal natural organic matter masks priority pollutants released in water from peat soil》. 《Environmental Research》published the findings. The article contains the following contents:

Natural organic matter (NOM) from Sphagnum peat soil is extracted in water and subjected to several investigations to obtain structural and conformational information. Data show that the extracted NOM is self-organized in colloidal aggregates of variable sizes (from nano to micro scales, depending on the solvent composition, i.e., ultrapure water, solutions with denaturing agents, acetone, ethanol). Aggregates are formed by highly heterogeneous classes of organic compounds According to the results of NMR and fluorescence measurements, the three-dimensional structure of aggregates, revealed by scanning electron microscope imaging, is supposed to be stabilized by the exposition of polar functional groups to the solvent, with consequent formation of hydrogen bonds, dipole-interactions and cation bridging. In contrast, the inner part of the aggregates displays hydrophobic features and is hypothesized to be further reinforced by the establishment of π-stacking interactions. The structure is assumed to be a supramol. aggregation of small-medium oligomeric fragments (Max 750 Da) in which priority pollutants are entrapped by dispersive forces. The structures are shown to be nanosized spheroidal particles further aggregated to form higher dimension supra-structures. Carbohydrates play primary role, stabilizing the structure and giving marked hydrophilic properties to the aggregates. And 2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) was used in the research process.

COA of Formula: C23H32O22,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .

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