Tag: 100-200

Capillary gas chromatographic separation performances of a tetraphenyl porphyrin stationary phase was written by Yan, Yuan;Wang, Zhenzhong;Zhang, Zitong;He, Zhen;Luo, Lun;Fan, Jing. And the article was included in Frontiers in Chemistry (Lausanne, Switzerland) in 2022.Recommanded Product: Methyl heptanoate The following contents are mentioned in the article:

Tetra-Ph porphyrin (TPP) has enormous potential for use as gas chromatog. stationary phases because it has a distinctive extended π-π conjugated coplanar structure and a range of interesting properties such as a good solubility in dichloromethane, high m.p., and good thermal stability. In this work, a TPP column was successfully prepared using a static method. The column was nonpolar and had a high efficiency. The chromatog. selectivity of the TPP column was assessed. The TPP column showed superiority retention and higher resolution for alicyclic, aromatic mols. through ring matching and π-π stacking interaction comparable to HP-5MS column. The unique mechanisms through which the TPP column retained polychlorinated biphenyls allowed the peak pair of 2,2′,5-trichlorobiphenyl and 4,4′-dichlorobiphenyl to be resolved better on the TPP column than the HP-5MS column. The TPP column was thermally stable even at 260°C for 2 h and gave results of a high degree of precision (run-to-run and column-to-column) with relative standard deviations <0.05% and <4.96%, resp. The results indicated that porphyrin derivatives will be useful gas chromatog. stationary phases. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0Recommanded Product: Methyl heptanoate).

Methyl heptanoate (cas: 106-73-0) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Recommanded Product: Methyl heptanoate

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

Ranking of aquatic toxicity of esters modelled by QSAR was written by Papa, Ester;Battaini, Francesca;Gramatica, Paola. And the article was included in Chemosphere in 2005.Computed Properties of C7H14O3 The following contents are mentioned in the article:

Alternative methods like predictions based on quant. structure-activity relationships (QSARs) are now accepted to fill data gaps and define priority lists for more expensive and time consuming assessments. A heterogeneous data set of 74 esters was studied for their aquatic toxicity, and available exptl. toxicity data on algae, Daphnia and fish were used to develop statistically validated QSAR models, obtained using multiple linear regression (MLR) by the OLS (ordinary least squares) method and GA-VSS (variable subset selection by genetic algorithms) to predict missing values. An ester aquatic toxicity index (ESATIN) was then obtained by combining, by PCA, exptl. and predicted toxicity data, from which model outliers and esters highly influential due to their structure had been eliminated. Finally this integrated aquatic toxicity index, defined by the PC1 score, was modeled using only a few theor. mol. descriptors. This last QSAR model, statistically validated for its predictive power, could be proposed as a preliminary evaluative method for screening/prioritizing esters according to their integrated aquatic toxicity, just starting from their mol. structure. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Computed Properties of C7H14O3).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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. 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.Computed Properties of C7H14O3

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

Changes in the Volatile Profile of Wheat Sourdough Produced with the Addition of Cava Lees was written by Martin-Garcia, Alba;Comas-Baste, Oriol;Riu-Aumatell, Montserrat;Latorre-Moratalla, Mariluz;Lopez-Tamames, Elvira. And the article was included in Molecules in 2022.Synthetic Route of C10H20O2 The following contents are mentioned in the article:

The volatile fraction is of great importance for the organoleptic quality and consumer acceptance of bread. The use of sourdough improves the sensory profile of bread, as well as the addition of new ingredients to the fermentation Cava lees are a sparkling wine byproduct formed of dead microorganisms, tartaric acid, and other inorganic compounds, rich in antioxidant compounds as well as β-glucans and mannoproteins. The aim of this study was to evaluate the effect of different concentrations of Cava lees (0-2% weight/weight) on sourdough volatile compounds to re-valorize this byproduct of the wine industry. Headspace solid-phase microextraction (HS-SPME) was optimized to study the volatile fractions of sourdoughs. The parameters selected were 60°C, 15 min of equilibrium, and 30 min of extraction It was found that the addition of Cava lees resulted in higher concentrations of volatile compounds (alcs., acids, aldehydes, ketones and esters), with the highest values being reached with the 2% Cava lees. Moreover, Cava lees contributed to aroma due to the compounds usually found in sparkling wine, such as 1-butanol, octanoic acid, benzaldehyde and Et hexanoate. This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1Synthetic Route of C10H20O2).

Octyl acetate (cas: 112-14-1) 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.Synthetic Route of C10H20O2

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

Selective Hydrodeoxygenation of Esters to Unsymmetrical Ethers over a Zirconium Oxide-Supported Pt-Mo Catalyst was written by Sakoda, Katsumasa;Yamaguchi, Sho;Mitsudome, Takato;Mizugaki, Tomoo. And the article was included in JACS Au in 2022.Formula: C10H20O2 The following contents are mentioned in the article:

A heterogeneous catalytic system for the selective hydrodeoxygenation (HDO) of esters RC(O)OR¹ (R = Me, cyclohexyl, Ph, etc.; R¹ = cyclohexyl, n-Bu, Me, etc.; RR¹ = -(CH₂)₁₄-, -(CH₂)₁₅-) to unsym. ethers RCH₂OR¹ over a zirconium oxide-supported platinum-molybdenum catalyst (Pt-Mo/ZrO₂) was reported. A wide range of esters was transformed into the corresponding unsym. ethers under mild reaction conditions (0.5 MPa H₂ at 100°C). The Pt-Mo/ZrO₂ catalyst was also successfully applied to the conversion of a biomass-derived triglyceride such as trilauryl glyceride into the corresponding triether such as tridodecyl glyceryl ether. Physicochem. characterization and control experiments revealed that cooperative catalysis between Pt nanoparticles and neighboring molybdenum oxide species on the ZrO₂ surface plays a key role in the highly selective HDO of esters. This Pt-Mo/ZrO₂ catalyst system offers a highly efficient strategy for synthesizing unsym. ethers and broadens the scope of sustainable reaction processes. This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1Formula: C10H20O2).

Octyl acetate (cas: 112-14-1) 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. 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: C10H20O2

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

Insights into the mode of action of 2-(4-methoxyphenyl)ethyl isothiocyanate on Aspergillus niger was written by Wu, Tian-Lin;Hu, Yong-Mei;Sun, Yu;Zhang, Zhi-Jun;Wu, Zheng-Rong;Zhao, Wen-Bin;Tang, Chen;Du, Sha-Sha;He, Ying-Hui;Ma, Yue;Yang, Cheng-Jie;Liu, Ying-Qian. And the article was included in Food Control in 2022.Related Products of 2253-73-8 The following contents are mentioned in the article:

Isothiocyanates had attracted attention for many years due to their antimicrobial properties. In this study, the antifungal efficiency of eighteen isothiocyanate compounds were evaluated against six plant pathogenic fungi and two molds in vitro. Among them, 2-(4-methoxyphenyl)ethyl isothiocyanate displayed the highest antifungal activity against Aspergillus niger (EC50 = 4.19μg/mL). The further studies of its mode of action showed that it may damage the cell morphol. and membrane integrity in a dose dependent manner by morphol. observation, Pr iodide staining and the release of cellular contents. On the other hand, the decrease of related enzyme activities in tricarboxylic acid cycle suggested that 2-(4-methoxyphenyl)ethyl isothiocyanate may effected energy metabolism Besides, reactive oxygen species, the content of malondialdehyde, the total antioxidant capacity, the content of glutathione and the kinase of oxidative reactive were changed in fungi treated with 2-(4-methoxyphenyl)ethyl isothiocyanate, compared with those in untreated fungi, which all indicated that 2-(4-methoxyphenyl)ethyl isothiocyanate exhibited antifungal activity against A.niger by inducing oxidative stress. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Related Products of 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Related Products of 2253-73-8

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

Insights into the mode of action of 2-(4-methoxyphenyl)ethyl isothiocyanate on Aspergillus niger was written by Wu, Tian-Lin;Hu, Yong-Mei;Sun, Yu;Zhang, Zhi-Jun;Wu, Zheng-Rong;Zhao, Wen-Bin;Tang, Chen;Du, Sha-Sha;He, Ying-Hui;Ma, Yue;Yang, Cheng-Jie;Liu, Ying-Qian. And the article was included in Food Control in 2022.Safety of Isopropylisothiocyanate The following contents are mentioned in the article:

Isothiocyanates had attracted attention for many years due to their antimicrobial properties. In this study, the antifungal efficiency of eighteen isothiocyanate compounds were evaluated against six plant pathogenic fungi and two molds in vitro. Among them, 2-(4-methoxyphenyl)ethyl isothiocyanate displayed the highest antifungal activity against Aspergillus niger (EC50 = 4.19μg/mL). The further studies of its mode of action showed that it may damage the cell morphol. and membrane integrity in a dose dependent manner by morphol. observation, Pr iodide staining and the release of cellular contents. On the other hand, the decrease of related enzyme activities in tricarboxylic acid cycle suggested that 2-(4-methoxyphenyl)ethyl isothiocyanate may effected energy metabolism Besides, reactive oxygen species, the content of malondialdehyde, the total antioxidant capacity, the content of glutathione and the kinase of oxidative reactive were changed in fungi treated with 2-(4-methoxyphenyl)ethyl isothiocyanate, compared with those in untreated fungi, which all indicated that 2-(4-methoxyphenyl)ethyl isothiocyanate exhibited antifungal activity against A.niger by inducing oxidative stress. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Safety of Isopropylisothiocyanate).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Safety of Isopropylisothiocyanate

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

Improving saccharide concentration by mixing octyl acetate during semi-flow, hot-compressed water treatment of woody biomass was written by Minami, Eiji;Bito, Daiki;Kawamoto, Haruo;Saka, Shiro. And the article was included in Biomass and Bioenergy in 2020.Application In Synthesis of Octyl acetate The following contents are mentioned in the article:

Biomass-based ethanol or acetic acid can be produced by fermentation of saccharides following wood hydrolysis. Both high saccharide yield and concentration are essential for achieving an efficient hydrolysis process. However, there can be a trade-off between yield and concentration during semi-flow, hot-compressed water treatment, a candidate for wood hydrolysis. This trade-off is because the fast water flow rate is necessary for high saccharide yields, but the large amount of water dilutes the produced hydrolyzate. In this study, we mixed octyl acetate, which is a water-immiscible solvent, during hot-compressed water treatment of beech wood. By adding octyl acetate, a high flow rate was achieved without increasing the water flow rate, and the saccharide concentration was thus improved, while suppressing the decrease in saccharide yield. Furthermore, lignin-derived oligomers, which have inhibitory effects on fermentation, were removed from hydrolyzate because they can dissolve in octyl acetate. We performed acetic acid fermentation using the obtained hydrolyzate and found that the fermentability was markedly improved compared with the hydrolyzate obtained without octyl acetate. This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1Application In Synthesis of Octyl acetate).

Octyl acetate (cas: 112-14-1) 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. 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.Application In Synthesis of Octyl acetate

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

Comparison of volatile components from Maca extracted by headspace solid phase microextraction and steam distillation was written by Zhang, Pengyun;Li, Rong;Li, Haoyang;Chen, Lisi;Zhang, Feng. And the article was included in Shipin Keji in 2018.Category: esters-buliding-blocks The following contents are mentioned in the article:

Objective: To compare headspace solid-phase microextraction (HS-SPME) and steam distillation (SD) in the extraction of volatile components composition and differences from Maca in Lijiang, Yunnan. Methods: GC-MS and GC-QTOF-MS were used to detect and analyze the extracts of the two methods resp. Result: A total of 70 components were detected in the HS-SPME extract, and 54 components were identified, accounting for 95.16% of the total peak area of the volatile substances, mainly including nitriles (61.49%), esters (15.25%), aldehydes (9.86%) and pyrazine (1.27%). A total of 74 components were detected in the SD extract, and 39 components were identified, accounting for 97.40% of the total peak area of volatile substances, mainly including nitriles (90.33%), aldehydes (5.04%) and esters (1.62%), of which there were 16 common components, and the highest content of all components are phenylacetonitrile. Conclusion: There were certain differences in the composition and content of the volatile components extracted from Maca by the two methods, in which the extraction effect of HS-SPME was relatively good, which could be applied to the rapid detection of volatile components in Maca. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0Category: esters-buliding-blocks).

Methyl heptanoate (cas: 106-73-0) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. 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.Category: esters-buliding-blocks

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

QSAR Models for Predicting Aquatic Toxicity of Esters Using Genetic Algorithm-Multiple Linear Regression Methods was written by Rajabi, Mehdi;Shafiei, Fatemeh. And the article was included in Combinatorial Chemistry & High Throughput Screening in 2019.Product Details of 106-73-0 The following contents are mentioned in the article:

Esters are of great importance in industry, medicine, and space studies. Therefore, studying the toxicity of esters is very important. In this research, a Quant. Structure-Activity Relationship (QSAR) model was proposed for the prediction of aquatic toxicity (log 1/IGC50) of aliphatic esters towards Tetrahymena pyriformis using mol. descriptors. A data set of 48 aliphatic esters was separated into a training set of 34 compounds and a test set of 14 compounds A large number of mol. descriptors were calculated with Dragon software. The Genetic Algorithm (GA) and Multiple Linear Regression (MLR) methods were used to select the suitable descriptors and to generate the correlation models that relate the chem. structural features to the biol. activities. The predictive powers of the MLR models are discussed by using Leave-One-Out (LOO) cross-validation and external test set. The best QSAR model is obtained with R2 value of 0.899, Q² LOO = 0.928, F = 137.73, RMSE = 0.263. The predictive ability of the GA-MLR model with two selected mol. descriptors is satisfactory and it can be used for designing similar group and predicting of toxicity (log 1/IGC50) of ester derivatives This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0Product Details of 106-73-0).

Methyl heptanoate (cas: 106-73-0) 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 are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Product Details of 106-73-0

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

Impact of SO₂ and bentonite addition during fermentation on volatile profile of two varietal white wines was written by Almeida Santos, Catia V.;Gomes da Silva, Marco;Cabrita, Maria Joao. And the article was included in LWT–Food Science and Technology in 2020.Recommanded Product: Isopentyl hexanoate The following contents are mentioned in the article:

To understand the impact of SO₂ and ascorbic acid (AA) in must fermentation, Arinto and Siŕia musts were fermented under the same conditions, but in the presence of different doses of SO₂ and with or without bentonite addition Arinto was fermented with 0, 50, 100 mg/L of SO₂ and 100 mg/L of AA. Siria was fermented with 0, 15, 30, 45 mg/L of SO₂ and 100 mg/L of AA. The volatile organic compounds (VOCs) were analyzed by HS-SPME-GC/MS. Based on PCA results obtained from VOCs profiles for both varieties, first and second principal components were responsible for more than 60% of the resp. system′s variance. In both wines, the presence or absence of bentonite was clearly discriminated. This work also shows that depending on the different doses of SO₂ used, the resulting VOC profiles clearly discriminate these different fermentation conditions. The use of AA in both varieties resulted in a different VOC profile compared to the use of SO₂. From this study it was also possible to verify from the VOCs profile, that Arinto wine is less resilient to fermentation changes then Siria wine, which may impact technol. choices. This study involved multiple reactions and reactants, such as Isopentyl hexanoate (cas: 2198-61-0Recommanded Product: Isopentyl hexanoate).

Isopentyl hexanoate (cas: 2198-61-0) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Recommanded Product: Isopentyl hexanoate

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