Category: 5444-75-7

Screening of ToxCast Chemicals Responsible for Human Adverse Outcomes with Exposure to Ambient Air was written by Qiao, Lin;Gao, Lirong;Huang, Di;Liu, Yang;Xu, Chi;Li, Da;Zheng, Minghui. And the article was included in Environmental Science & Technology in 2022.Synthetic Route of C15H22O2 The following contents are mentioned in the article:

Air pollution poses a major threat to global public health. Although there have been a few investigations into the relationships between organic pollutants and adverse outcomes, the responsible components and mol. mechanisms may be ignored. In this study, a suspect screening method combining comprehensive two-dimensional gas chromatog. – time-of-flight mass spectrometry (GC x GC-TOFMS) with Toxicity Forecaster (ToxCast) database was applied to analyze complex hydrophobic compounds in ambient air and prospectively figure out toxicol. significant compounds 76 ToxCast compounds were screened, including 7 pollutants receiving less attention and 5 chems. never published in the air previously. Given the concentrations, bioactivities, as well as absorption, distribution, metabolism, and excretion properties in vivo, 29 contaminants were assigned high priority since they had active biol. effects in the vascular, lung, liver, kidney, prostate and bone tissues. Phenotypic linkages of key pollutants to potential mechanistic pathways were explored by systems toxicol. A total of 267 chem.-effect pathways involving 29 toxicants and 31 mol. targets were mapped in bipartite network, in which 12 key pathogenic pathways were clarified, which not only provided the evidence supporting previous hypothesis but also provided new insights into the mol. targets. The results would facilitate the development of pollutant priority control, population intervention and clin. therapeutic strategies so as to substantially reduce human health hazards induced by urban air. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Synthetic Route of C15H22O2).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Synthetic Route of C15H22O2

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Viscous Calibration Liquids for Self-Diffusion Measurements was written by Harris, Kenneth R.;Ganbold, Batchimeg;Price, William S.. And the article was included in Journal of Chemical & Engineering Data in 2015.Computed Properties of C15H22O2 The following contents are mentioned in the article:

Self-diffusion measurements made by steady or pulsed field gradient spin-echo NMR are not absolute and the magnetic field gradients employed must normally be determined by calibration with liquids with known self-diffusion coefficients The primary calibrant is water, with self-diffusion coefficient values having been extrapolated from the tracer diffusion of HDO and of HTO in ordinary water by Mills, with a relative standard uncertainty of 0.2 %. This and other liquids presently used for calibration all have low viscosities. Current work on ionic liquids, which are generally quite viscous, suggests there may be problems with the pulsed field gradient (PGSE) techniques usually employed as results dependent on the time interval between gradient pulses have been reported by Hayamizu et al. In this work, self-diffusion coefficients, obtained by a steady gradient (SG) technique, are reported for the viscous mol. liquids squalane, ethylhexyl benzoate, and bis(ethylhexyl) phthalate (DEHP), and it is suggested that these substances may be suitable secondary reference materials for the calibration of spin-echo NMR apparatus when self-diffusion in viscous liquids is to be measured. New PGSE measurements for squalane and DEHP are in good agreement with the SG results. We also report on systematic errors found in the secondary calibration data of Holz et al. for cyclohexane, n-dodecane, DMSO, and pentan-1-ol (though not for 1,4-dioxane) and suggest toluene in their place as a more convenient low-viscosity calibrant that is also suitable for low temperature work. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Computed Properties of C15H22O2).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Computed Properties of C15H22O2

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High-Pressure Raman Noncoincidence Effect and Conformation of Alkyl Side Chain in Alkyl Benzoates was written by Slager, Vivian L.;Chang, Hai-Chou;Kim, Yoo Joong;Jonas, Jiri. And the article was included in Journal of Physical Chemistry B in 1997.Category: esters-buliding-blocks The following contents are mentioned in the article:

The Raman noncoincidence effect has been used to investigate the changes in intermol. interactions induced by applying high pressure to neat liquid alkyl benzoates. The noncoincidence of the carbonyl band of a homologous series of straight chain alkyl benzoates (Me, Et, Pr, Bu, and hexyl benzoate) and a branched chain alkyl benzoate (2-ethylhexyl benzoate) was measured at 20 and 40 °C over the pressure range 1-5000 bar. The d. was measured as a function of pressure for all mols. A transition point dividing the noncoincidence behavior as a function of d. into two regions was found, for all mols. except Me benzoate. Below the transition point, at lower d., the noncoincidence value was relatively insensitive to changes in d., while above the transition point, the noncoincidence value dropped sharply with increasing d. The decrease in the value of noncoincidence above the transition point was interpreted as the change in intermol. interactions resulting from the conformational change in favor of a “folded” form of the alkyl side chain shielding the carbonyl group. To examine the plausibility of the presence of energetically allowable conformations with a folded alkyl side chain, conformational searches based on mol. mechanics calculations have also been performed. The strain energy of some alkyl benzoate conformers with folded side chain was calculated to be within a few kcal/mol of the global min. conformation. Both the exptl. results and the conformational anal. suggest that the population of the folded conformer increases under high-pressure conditions owing to its compactness. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Category: esters-buliding-blocks).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Category: esters-buliding-blocks

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Optimization of fermentation conditions of green tea wine and changes in its main components during fermentation was written by Zhao, Xiao-yue;Xu, Huai-de;Yang, Rong-xiang. And the article was included in Shipin Kexue (Beijing, China) in 2014.Category: esters-buliding-blocks The following contents are mentioned in the article:

The fermentation process of green tea wine was optimized, and the changes in polyphenols, catechins and aroma components during fermentation were investiated. Orthogonal array experiments were used to optimize the fermentation process. The changes in catechins and aroma components were determined by high performance liquid chromatog. (HPLC) and gas chromatog.-mass spectrometry (GC-MS). The optimal fermentation parameters were determined as follows: 4 g/L green tea infusion with 20% glucose and 50 g/L honey added, 5 g/L wine yeast inoculum size, and fermentation at 28°C for 10 days. The contents of six catechins were increased during fermentation Specifically, the contents of (-)-epigallocatechin (EGC), (-)-gallocatechin gallate (GCG), epicatechin gallate (ECG), and epicatechin (EC) were slightly increased; however, the contents of catechin (C) and epigallocatechin-3-gallate catechin (EGCGC) were increased by 10.88 and 17.33-folds, resp. These results indicate that the increase of catechins plays an important role in the health-promoting function of green tea wine. There were 87, 88 and 94 aroma components in the wine at the initial and the last stages of fermentation and the aged wine, which accounted for 92.93%, 98.26% and 91.87% of the total volatile components, resp. The significant differences in the types and amounts of aroma components indicate the transition from the tea flavor to the wine aroma components. Green tea can be fermented into wine; the health-promoting components (catechins) of green tea are increased to different extents and the green tea wine is mellow. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Category: esters-buliding-blocks).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Category: esters-buliding-blocks

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In situ measurements of gas/particle-phase transitions for atmospheric semivolatile organic compounds was written by Williams, Brent J.;Goldstein, Allen H.;Kreisberg, Nathan M.;Hering, Susanne V.. And the article was included in Proceedings of the National Academy of Sciences of the United States of America in 2010.Related Products of 5444-75-7 The following contents are mentioned in the article:

An understanding of gas/particle partitioning of semi-volatile compounds is critical to determine atm. aerosol formation processes and growth rates, which in turn affect global climate and human health. The Study of Organic Aerosol at Riverside 2005 campaign was performed to better understand the factors responsible for aerosol formation and growth in Riverside, California, a region with high secondary organic aerosol concentrations formed by phase transfer of low-volatility reaction products from the precursor gas oxidation The ability of a thermal desorption aerosol gas chromatograph (TAG) to measure gas-to-particle phase transitioning for several organic compound classes (polar and non-polar) in the ambient Riverside atm. was assessed using in-situ observations of several hundred semi-volatile organic compounds TAG measurements were compared to modeled partitioning of select semi-volatile organic compounds Although TAG was not designed to quantify semi-volatile organic vapor phases, TAG measurements distinguished when specific compounds are dominantly in the vapor phase, are dominantly in the particle phase, or have both phases present. Since TAG data are speciated and time-resolved, this distinction is sufficient to determine the transition from vapor to particle phase as a function of C number and compound class. Laboratory studies typically measure semi-volatile organic compound phase partitioning using pure compounds or simple mixtures; hourly TAG phase partitioning measurements can be made in a complex mixture of thousands of polar/non-polar and organic/inorganic compounds in the atm. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Related Products of 5444-75-7).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Related Products of 5444-75-7

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Effect of MeJA treatment and scale insect attack on the volatile of jujube trees was written by Gong, Sha;Zhang, Yan-feng;Xue, Jiao-liang;Du, Xian-dang;Xie, Ying-ping. And the article was included in Shengwuxue Zazhi in 2012.Reference of 5444-75-7 The following contents are mentioned in the article:

The jujube tree, Ziziphus jujube Mill, is one of the most important economic fruits in north China. Japanese wax scale, Ceroplastes japonicus Green, is a destructive pest in the jujube orchard. This paper studied the changes of the volatile of the jujube trees that were induced with Methyl-Jasmonic (MeJA), an exogenous signaling material, or were attacked by adults of the scale insect, C. japonicus. The headspace volatile trapping instrument was used to collect volatiles from jujube trees. The chem. components of the collected volatiles were analyzed using chromatog./mass spectroscopy (GC/MS). The results showed that the volatile substances were changed both in the components and in emission quantity when the jujube trees treated with MeJA or damaged by the scale insect. Twenty-two components were examined from the volatile samples from the MeJA-treated jujube tree, and their emission quantity was 37347 ng/h. Meanwhile, 24 components were determined in the volatiles from the scale insect-damaged jujube trees and their emission quantity reached 54292 ng/h. In comparison, 14 compounds were detected only in the volatiles of the health trees (as control) and the total emission quantity was 18611 ng/h. The difference reached the significant level either between the MeJA-treated section and the control section or between the scale insect-damaged section and the control section. In which, the increases of terpenoid, alc. and ester compounds are significant in plants induced chem. defense. These compounds were considered to associate with the natural enemy recruitment in the biol. pest control. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Reference of 5444-75-7).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Reference of 5444-75-7

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Evaluation of antioxidant enzyme content, phenolic content, and antibacterial activity of Commiphora gileadensis grown in Saudi Arabia was written by Almulaiky, Yaaser Q.;Al-Farga, Ammar. And the article was included in Main Group Chemistry in 2020.Reference of 5444-75-7 The following contents are mentioned in the article:

Commiphora gileadensis is commonly used in Saudi Arabia for oral hygiene. A lack of data about its biol. activity encouraged us to evaluate the antioxidant and antibacterial activities of its leaf and stem extracts Ethanol, methanol, acetone and deionized water were tested as extraction solvents. 80% methanol gave the highest extracted concentrations of phenolic and flavonoid substances. The leaf and stem extracts were resp. evaluated for their radical scavenging activity with DPPH (EC₅₀ = 3.39, and 1.06), ABTS (EC₅₀ = 0.690, and 0.55), and peroxide scavenging activity (EC₅₀ = 2.43, and 1.28). GC-MS identified a wide range of compounds that may be responsible for these activities of the results observed The highest levels of chlorophyll, carotenoids, and lycopene were found in the leaf extract while level of proanthocyanidins was found in the stem peels extract The peroxidase and catalase activities of stem peel extract were higher than those of the leaf extract The findings showed that the leaf and stem peel extracts of C. gileadensis exhibited significant antibacterial activity against the test organisms. The min. inhibitory concentrations for the plant extracts were compared with the standard reference drug Augmentin but the time-kill curves for the C. gileadensis extracts showed that they were less effective than Augmentin. Moreover, the stem peel extract exhibited stronger antibacterial activity than the leaf extract In conclusion, C. gileadensis can be an important source of natural antioxidants, used as a healthy chewing stick for teeth brushing and oral hygiene purposes. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Reference of 5444-75-7).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Reference of 5444-75-7

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Elucidation of the layered structures of AMO solvent-washed Mg-Al layered double hydroxides using Mg- and Al K-edge XANES and EXAFS: Impacts of washing solvents on structures and catalytic esterification of benzoic acid with 2-ethylhexanol to 2-ethylhexyl benzoate was written by Kuljiraseth, Jirayu;Wangriya, Aunchana;Klysubun, Wantana;Jitkarnka, Sirirat. And the article was included in Radiation Physics and Chemistry in 2020.Recommanded Product: 2-Ethylhexyl benzoate The following contents are mentioned in the article:

Recently, aqueous miscible organic-layered double hydroxides (AMO-LDHs) have been found to possess impressively-enhanced surface area and pore volume Although computer simulations were adopted to understand the interaction between an AMO solvent and an LDH, their layered structures have not yet been clearly depicted. Therefore, in this work, Mg- and Al K-edge X-ray absorption spectroscopy (XAS), in association with characterization techniques such as XRD, BET, TEM, and STA-FTIR, were employed to visualize the layered structures in the at. level of AMO-LDHs synthesized using two AMO solvents; that are, ethanol and acetone. XANES revealed that Mg (II) and Al (III) had octahedral coordination with oxygen atoms, whereas EXAFS revealed that the coordination numbers of Mg-O and Al-O bonds in the ethanol-washed LDH were distinguished from those of acetone- and water-washed LDHs. In addition, the radial distribution around cations of Mg-O-Al bonds in the layers was different from that in the conventional LDH, due to the differences in charge balance between the LDH sheets and AMO solvents. The illustrations of AMO-LDH layered structures were then constructed, in association with the information from the Mol. Dynamic simulation. As a result, the linear combination fitting based on the Mg K-edge XANES results showed that the change in phase composition of AMO-LDHs was attributed to the significantly-enhanced surface area, acid d., and base d., and consequently to the catalytic activity of AMO LDH-derived mixed oxides on the esterification of benzoic acid, a major component in chem. wastes, with 2-ethylhexanol to valuable 2-ethylhexyl benzoate. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Recommanded Product: 2-Ethylhexyl benzoate).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Recommanded Product: 2-Ethylhexyl benzoate

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Ester – Wikipedia,
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Headspace sampling-gas chromatograph-mass spectrometer as a screening method to thermally extract fireground contaminants from retired firefighting turnout jackets was written by Shinde, Adhiraj;Ormond, R. Bryan. And the article was included in Fire and Materials in 2021.Formula: C15H22O2 The following contents are mentioned in the article:

SUMMARY : Firefighters are at a 1.5 to 2 times greater risk of contracting certain types of cancers as compared to the general population. After preliminary studies, it was evident that contaminated turnout gear and ensemble elements could be linked to heightened cancer rates amongst firefighters. Compounds such as polycyclic aromatic hydrocarbons (PAHs), perfluorinated compounds, phenols, phthalates, brominated flame retardants, dioxins, volatile organic compounds, and many others are present in the contaminated gear, of which many are known carcinogens. A setup of headspace sampler-gas chromatograph-mass spectrometer was used to measure the off-gassing of the fabric samples taken from retired field-contaminated turnout jackets. The fabric samples were exposed to a specific temperature and allowed to equilibrate for a fixed time in the HS. A custom reference mix of phenols, phthalates and PAHs was put together to develop standard calibration curves. The compounds off-gassing from the outer shell, thermal liner and the moisture barrier were analyzed and the masses of certain marker compounds were calculated based of the standard calibration curves. The technique could be used as a screening method to thermally extract contaminants from field-contaminated firefighter turnout materials such as jackets, pants, gloves, and so on. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Formula: C15H22O2).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Formula: C15H22O2

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Volatilomic Signatures of AGS and SNU-1 Gastric Cancer Cell Lines was written by Slefarska-Wolak, Daria;Heinzle, Christine;Leiherer, Andreas;Ager, Clemens;Muendlein, Axel;Mezmale, Linda;Leja, Marcis;Corvalan, Alejandro H.;Drexel, Heinz;Krolicka, Agnieszka;Shani, Gidi;Mayhew, Christopher A.;Haick, Hossam;Mochalski, Pawel. And the article was included in Molecules in 2022.Electric Literature of C15H22O2 The following contents are mentioned in the article:

In vitro studies can help reveal the biochem. pathways underlying the origin of volatile indicators of numerous diseases. The key objective of this study is to identify the potential biomarkers of gastric cancer. For this purpose, the volatilomic signatures of two human gastric cancer cell lines, AGS (human gastric adenocarcinoma) and SNU-1 (human gastric carcinoma), and one normal gastric mucosa cell line (GES-1) were investigated. More specifically, gas chromatog. mass spectrometry has been applied to pinpoint changes in cell metabolism triggered by cancer. In total, ten volatiles were found to be metabolized, and thirty-five were produced by cells under study. The volatiles consumed were mainly six aldehydes and two heterocyclics, whereas the volatiles released embraced twelve ketones, eight alcs., six hydrocarbons, three esters, three ethers, and three aromatic compounds The SNU-1 cell line was found to have significantly altered metabolism in comparison to normal GES-1 cells. This was manifested by the decreased production of alcs. and ketones and the upregulated emission of esters. The AGS cells exhibited the increased production of Me ketones containing an odd number of carbons, namely 2-tridecanone, 2-pentadecanone, and 2-heptadecanone. This study provides evidence that the cancer state modifies the volatilome of human cells. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Electric Literature of C15H22O2).

2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Electric Literature of C15H22O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics