Rao, Shen et al. published their research in Scientia Horticulturae (Amsterdam, Netherlands) in 2021 | CAS: 2253-73-8

Isopropylisothiocyanate (cas: 2253-73-8) 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. 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.Quality Control of Isopropylisothiocyanate

Effects of selenate applied at two growth stages on the nutrient quality of Cardamine violifolia was written by Rao, Shen;Yu, Tian;Cong, Xin;Zhang, Weiwei;Zhu, Zhenzhou;Liao, Yongling;Ye, Jiabao;Cheng, Shuiyuan;Xu, Feng. And the article was included in Scientia Horticulturae (Amsterdam, Netherlands) in 2021.Quality Control of Isopropylisothiocyanate The following contents are mentioned in the article:

Cardamine violifolia is an edible selenium (Se) hyperaccumulator that is mainly distributed in Enshi, China. Here, C. violifolia treated with different selenate concentrations (i.e., 0, 1.5, 20, and 80μmol L – 1) at the rosette and podding stages in a hydroponic experiment was carried out to investigate the effects of Se accumulation on the nutrient quality of this crop. The shoots accumulated high levels of Se at the rosette and podding stages, and the main Se forms at these stages were selenocystine and selenate. The effects of selenate on the chlorophyll, carotenoid, soluble sugar and protein, total free amino acid, and vitamin C contents of C. violifolia differed between the rosette and podding stages. Selenate treatment reduced total flavonoid and increased the total phenolic acid content at the podding stage. Total glucosinolate content decreased after selenate treatment at the rosette stage. Ten volatile compounds were found in C. violifolia shoots and the dominant volatile observed at the two stages was benzyl isothiocyanate. Selenate treatment demonstrated mixed influences on the volatile compounds For example, at the rosette stage, selenate treatment inhibited the emission of benzyl isothiocyanate and benzyl isocyanate but promoted the generation of 12,15-octadecadiynoic acid Me ester. Moreover, selenate treatment reduced the emission of iso-Bu isothiocyanate at the podding stage of C. violifolia. These results provide us novel insights into the comprehensive effects of Se on the nutrient quality of Se hyperaccumulators. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Quality Control of Isopropylisothiocyanate).

Isopropylisothiocyanate (cas: 2253-73-8) 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. 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.Quality Control of Isopropylisothiocyanate

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

Zhang, Zhuxiu et al. published their research in ACS Omega in 2018 | CAS: 763-69-9

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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.Application of 763-69-9

Solvent-Assisted Stepwise Redox Approach To Generate Zeolite NaA-Supported K2O as Strong Base Catalyst for Michael Addition of Ethyl Acrylate with Ethanol was written by Zhang, Zhuxiu;Hu, Mengnan;Lv, Baoshuai;Kang, Jingjuan;Tang, Jihai;Fei, Zhaoyang;Chen, Xian;Liu, Qing;Cui, Mifen;Qiao, Xu. And the article was included in ACS Omega in 2018.Application of 763-69-9 The following contents are mentioned in the article:

Solid base catalysts featuring green, robustness, and high activity play an important role in the current fine-chem. and petrochem. industry. Normally, the generation of supported K2O by thermal decomposition of KNO3 requires high temperature, and this process can sometimes destroy the structure of supporting materials. We herein report a solvent-assisted stepwise redox (SASR) approach to generate zeolite NaA-supported K2O, which we call K2O/NaA, that function as the solid base catalyst for Michael addition reaction between ethanol and Et acrylate. The solvent-assisted redox decomposition process of KNO3 at elevated temperature was investigated by thermogravimetry-mass spectrometry. It reveals that after reducing a minor amount of KNO3 at 400 °C, the organic solvent decomposes to form carbon, which promotes the reduction of KNO3 to generate strong basicity on the zeolite NaA at 600 °C. The resulting material, K2O/NaA-S, exhibits improved catalytic activity in Michael addition reaction over other benchmark base catalysts that have been used in this reaction. This catalyst is durable for at least four catalytic cycles without apparent loss in activity. K2O/NaA-S exhibits larger reaction rate constant yet lower activation energy than K2O/NaA prepared by thermal decomposition method. The SASR approach described in this paper represents a new blueprint for the generation of the supported alkali oxide as the solid base catalyst. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Application of 763-69-9).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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.Application of 763-69-9

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

Zhai, Yitong et al. published their research in Fuel in 2021 | CAS: 106-73-0

Methyl heptanoate (cas: 106-73-0) 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. 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.Quality Control of Methyl heptanoate

Experimental and kinetic modeling study of methyl heptanoate low-temperature oxidation in a jet-stirred reactor was written by Zhai, Yitong;Feng, Beibei;Zhang, Yan;Mei, Bowen;Zou, Jiabiao;Yang, Jiuzhong;Zhang, Lidong;Sarathy, S. M.. And the article was included in Fuel in 2021.Quality Control of Methyl heptanoate The following contents are mentioned in the article:

Me heptanoate (MHP) is a potential surrogate component for fatty acid Me esters found in biodiesel. The carbon chain length of MHP is long enough to enable low temperature (low-T) reactivity and neg. temperature coefficient oxidation behavior during the combustion experiments, similar to the real biodiesel fuels. This paper investigated the low-T oxidation of MHP at 780 Torr and equivalence ratios of 0.5, 1.0 and 1.5 in a jet-stirred reactor. Detailed speciation profiles of fuel, intermediates and products were obtained using synchrotron vacuum UV photoionization mass spectrometry. A comprehensive kinetic model with 779 species and 3594 reactions was developed and validated against the new exptl. data. Model anal. indicated that the dominant reaction pathways for MHP consumption were H-abstraction reactions by radicals of OH, HO2 to produce MHP radicals under all exptl. conditions. In this low-T oxidation region, O2 addition reactions were responsible for the consumption of MHP radicals. The formation pathways of unsaturated Me esters were strongly related to the decomposition of cyclic ethers. Furthermore, the formations of CH3OOH and C2H5OOH were closely linked to the reactions of CH3O2 and C2H5O2 as well as the radicals of CH2O and HO2. This work provides detailed information relevant to low-T biodiesel oxidation chem. and guidance for the application of biodiesel in internal combustion engines. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0Quality Control of Methyl heptanoate).

Methyl heptanoate (cas: 106-73-0) 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. 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.Quality Control of Methyl heptanoate

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

Trovato, Emanuela et al. published their research in Separations in 2021 | CAS: 112-14-1

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

Influence of citrus flavor addition in brewing process: characterization of the volatile and non-volatile profile to prevent frauds and adulterations was written by Trovato, Emanuela;Arigo, Adriana;Vento, Federica;Micalizzi, Giuseppe;Dugo, Paola;Mondello, Luigi. And the article was included in Separations in 2021.Category: esters-buliding-blocks The following contents are mentioned in the article:

In the last few years, the flavored beer market has increased significantly. In particular, consumers showed a growing interest in citrus-flavored beers. Citrus fruits contain, among other class of compounds, terpenes and terpenoids and oxygenated heterocyclic compounds The absence of a specific legislation concerning beer flavored production and ingredients reported on the labels makes these beers subject to possible adulterations. Solid phase micro extraction (SPME) followed by gas chromatog.-mass spectrometry (GC-MS) and gas chromatog.-flame ionization detector (GC-FID) anal. of the volatile profile together with the characterization of the oxygen heterocyclic compounds through high performance liquid chromatog. coupled to tandem mass spectrometry (HPLC-MS/MS) demonstrated to be a powerful anal. strategy for quality control. In this study, we combined the volatile and non-volatile profiles of ”citrus flavored mainstream beers”, in order to evaluate the authenticity and determine markers to prevent food frauds. The changes in the aroma composition of the unflavored types after the addition of peel, or citrus essential oil were also evaluated. The linear retention index (LRI) system was used for both techniques; in particular, its application in liquid chromatog. is still limited and represents a novelty. The coupling of the high sensitivity of the HPLC MS/MS method with the LRI system, it has made possible for the first time a reliable identification and an accurate quantification of furocoumarins in citrus-flavored beers. This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1Category: esters-buliding-blocks).

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

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

Perestrelo, Rosa et al. published their research in Microchemical Journal in 2019 | CAS: 763-69-9

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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.Product Details of 763-69-9

Untargeted fingerprinting of cider volatiles from different geographical regions by HS-SPME/GC-MS was written by Perestrelo, Rosa;Silva, Catarina L.;Silva, Pedro;Medina, Sonia;Pereira, Regina;Camara, Jose S.. And the article was included in Microchemical Journal in 2019.Product Details of 763-69-9 The following contents are mentioned in the article:

The volat. fingerprint of ciders produced in different geog. regions from Madeira Island was established using headspace solid phase microextraction combined with gas chromatog. mass spectrometry (HS-SPME/GC-MS) in order to explore the effects of geog. region on the volatile pattern ciders in addition to identify potential mol. geog. markers. A total of 107 volatile organic compounds (VOCs) belonging to different chem. families were identified from which 50 VOCs are common to all ciders analyzed. Significant differences in the relative content of VOCs from ciders of different geog. regions were observed The potential of the identified VOCs for ciders discrimination according to region was assessed through chemometric tools, such as principal components anal. (PCA) and partial least squares-discriminant anal. (PLS-DA). The PCA showed significant differences among ciders from different island geog. regions. Fifteen VOCs responsible for ciders discrimination were identified by PLS-DA. Fifteen VOCs, namely five terpenoids, four alcs., three acids and three esters, present variable importance in projection (VIP) values higher than one. Our findings provide relevant information related to volatile signature of ciders produced in Madeira Island, which may be a useful tool to cider-making process contributing to improve the quality of the final product. In addition, the geog. discrimination recognizes the unique and distinctive characteristics that will allow in the future to protect the quality and typicity of products originating in certain geog. regions. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Product Details of 763-69-9).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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.Product Details of 763-69-9

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

Fang, Cuifen et al. published their research in Molecules in 2022 | CAS: 2198-61-0

Isopentyl hexanoate (cas: 2198-61-0) 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. 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.SDS of cas: 2198-61-0

Development of the Volatile Fingerprint of Qu Aurantii Fructus by HS-GC-IMS was written by Fang, Cuifen;He, Jia;Xiao, Qi;Chen, Bilian;Zhang, Wenting. And the article was included in Molecules in 2022.SDS of cas: 2198-61-0 The following contents are mentioned in the article:

Volatile components are important active ingredients of Rutaceae. In this study, HS-GC-IMS (headspace-gas chromatog.-ion mobility spectrometry) was used to study the volatile compounds of Qu Aurantii Fructus, and a total of 174 peaks were detected, 102 volatile organic compounds (131 peaks) were identified. To compare the volatile compounds of Qu Aurantii Fructus with its similar medical herb, Aurantii Fructus, and their common adulterants, principal component anal. (PCA) and cluster anal. (CA) were performed based on the signal intensity of all the detected peaks. The results showed that Qu Aurantii Fructus and Aurantii Fructus (Citrus aurantium L.) were clustered into one group, while their common adulterants could be well distinguished in a relatively independent space. In order to distinguish Qu Aurantii Fructus from Aurantii Fructus, the peaks other than the average intensity ±2 standard deviation (95% confidence interval) were taken as the characteristic components by using the Gallery Plot plug-in software. Addnl., the fingerprint method was established based on the characteristic compounds, which can be used to distinguish among Qu Aurantii Fructus, Aurantii Fructus and their common adulterants quickly and effectively. We found that the characteristic components with higher content of Qu Aurantii Fructus were nerol, decanal, coumarin and linalool. This study provides a novel method for rapid and effective identification of Qu Aurantii Fructus and a new dimension to recognize the relationship between Qu Aurantii Fructus and Aurantii Fructus. This study involved multiple reactions and reactants, such as Isopentyl hexanoate (cas: 2198-61-0SDS of cas: 2198-61-0).

Isopentyl hexanoate (cas: 2198-61-0) 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. 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.SDS of cas: 2198-61-0

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

Loganathan, T. et al. published their research in Journal of Drug Delivery and Therapeutics in 2021 | CAS: 2253-73-8

Isopropylisothiocyanate (cas: 2253-73-8) 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. 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.Quality Control of Isopropylisothiocyanate

GCMS profile of bioactive secondary metabolites with therapeutic potential in the ethanolic leaf extracts of Azadirachta indica: a sacred traditional medicinal plant of INDIA was written by Loganathan, T.;Barathinivas, A.;Soorya, C.;Balamurugan, S.;Nagajothi, T. G.;Ramya, S.;Jayakumararaj, R.. And the article was included in Journal of Drug Delivery and Therapeutics in 2021.Quality Control of Isopropylisothiocyanate The following contents are mentioned in the article:

Neem (Azadirachta indica) a member of Meliaceae plays an immense role in human health and disease which is attributed to its composition of Bioactive Secondary Metabolites (BASM). It has been widely used in Indian Traditional Systems of Medicine that includes Ayurveda, Siddha, Unani, Homeopathy and other Folklore Systems of Medicine practiced in the Indian Subcontinent for the treatment and prevention of various diseases. Current global health perspectives and medical practice in the post COVID era has no other way but to seek to merge alternative systems of medicine with evidence-based therapeutic aspects for a better understanding of the metabolic process and its effects in the human body. The studies based on animal model established that neem and its chief constituents play pivotal role in anticancer management through the modulation of various mol. pathways including p53, pTEN, NF-κB, PI3K/Akt, Bcl-2, and VEGF. Besides, NEEM plays a vital role in the management of diabetics and its associated long term complication through ROS scavenging and ameliorative potentials to restore oxidative injury/ inhibit enzymes linked to. Overall NEEM is considered as GRAS medicinal plant that modulates metabolic inflammations without side effects. Though it has been confirmed that neem and its constituents play role in the scavenging of free radical and prevention of disease pathogenesis, a clear scientific basis of its pharmacoinformatics is still lacking. Gas Chromatog.-Mass Spectroscopy (GC-MS) anal. of the fractions revealed the presence of 62 metabolites. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Quality Control of Isopropylisothiocyanate).

Isopropylisothiocyanate (cas: 2253-73-8) 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. 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.Quality Control of Isopropylisothiocyanate

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

Loganathan, T. et al. published their research in Journal of Drug Delivery and Therapeutics in 2021 | CAS: 2253-73-8

Isopropylisothiocyanate (cas: 2253-73-8) 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. 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.Quality Control of Isopropylisothiocyanate

GCMS profile of bioactive secondary metabolites with therapeutic potential in the ethanolic leaf extracts of Azadirachta indica: a sacred traditional medicinal plant of INDIA was written by Loganathan, T.;Barathinivas, A.;Soorya, C.;Balamurugan, S.;Nagajothi, T. G.;Ramya, S.;Jayakumararaj, R.. And the article was included in Journal of Drug Delivery and Therapeutics in 2021.Quality Control of Isopropylisothiocyanate The following contents are mentioned in the article:

Neem (Azadirachta indica) a member of Meliaceae plays an immense role in human health and disease which is attributed to its composition of Bioactive Secondary Metabolites (BASM). It has been widely used in Indian Traditional Systems of Medicine that includes Ayurveda, Siddha, Unani, Homeopathy and other Folklore Systems of Medicine practiced in the Indian Subcontinent for the treatment and prevention of various diseases. Current global health perspectives and medical practice in the post COVID era has no other way but to seek to merge alternative systems of medicine with evidence-based therapeutic aspects for a better understanding of the metabolic process and its effects in the human body. The studies based on animal model established that neem and its chief constituents play pivotal role in anticancer management through the modulation of various mol. pathways including p53, pTEN, NF-κB, PI3K/Akt, Bcl-2, and VEGF. Besides, NEEM plays a vital role in the management of diabetics and its associated long term complication through ROS scavenging and ameliorative potentials to restore oxidative injury/ inhibit enzymes linked to. Overall NEEM is considered as GRAS medicinal plant that modulates metabolic inflammations without side effects. Though it has been confirmed that neem and its constituents play role in the scavenging of free radical and prevention of disease pathogenesis, a clear scientific basis of its pharmacoinformatics is still lacking. Gas Chromatog.-Mass Spectroscopy (GC-MS) anal. of the fractions revealed the presence of 62 metabolites. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Quality Control of Isopropylisothiocyanate).

Isopropylisothiocyanate (cas: 2253-73-8) 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. 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.Quality Control of Isopropylisothiocyanate

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

Banchero, Mauro et al. published their research in Molecules in 2018 | CAS: 763-69-9

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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. 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.SDS of cas: 763-69-9

Comparison between multi-linear- and radial-basis-function-neural-network-based QSPR models for the prediction of the critical temperature, critical pressure and acentric factor of organic compounds was written by Banchero, Mauro;Manna, Luigi. And the article was included in Molecules in 2018.SDS of cas: 763-69-9 The following contents are mentioned in the article:

Critical properties and acentric factor are widely used in phase equilibrium calculations but are difficult to evaluate with high accuracy for many organic compounds Quant. Structure-Property Relationship (QSPR) models are a powerful tool to establish accurate correlation between mol. properties and chem. structure. QSPR multi-linear (MLR) and radial basis-function-neural-network (RBFNN) models have been developed to predict the critical temperature, critical pressure and acentric factor of a database of 306 organic compounds RBFNN models provided better data correlation and higher predictive capability (an AAD% of 0.92-2.0% for training and 1.7-4.8% for validation sets) than MLR models (an AAD% of 3.2-8.7% for training and 6.2-12.2% for validation sets). The RMSE of the RBFNN models was 20-30% of the MLR ones. The correlation and predictive performances of the models for critical temperature were higher than those for critical pressure and acentric factor, which was the most difficult property to predict. However, the RBFNN model for the acentric factor resulted in the lowest RMSE with respect to previous literature. The close relationship between the three properties resulted from the selected mol. descriptors, which are mostly related to mol. electronic charge distribution or polar interactions between mols. QSPR correlations were compared with the most frequently used group-contribution methods over the same database of compounds: although the MLR models provided comparable results, the RBFNN ones resulted in significantly higher performance. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9SDS of cas: 763-69-9).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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. 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.SDS of cas: 763-69-9

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

Taniguchi, Moyu et al. published their research in Journal of Bioscience and Bioengineering in 2021 | CAS: 2198-61-0

Isopentyl hexanoate (cas: 2198-61-0) 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. 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.Recommanded Product: Isopentyl hexanoate

Profiling of volatile compounds in Japanese sake stored in sherry casks using solid phase microextraction/gas chromatography/mass spectrometry analysis was written by Taniguchi, Moyu;Furuno, Masahiro;Yamada, Tasuku;Kawamura, Kazuhiro;Fukusaki, Eiichiro. And the article was included in Journal of Bioscience and Bioengineering in 2021.Recommanded Product: Isopentyl hexanoate The following contents are mentioned in the article:

The combination of solid phase microextraction (SPME) and gas chromatograph-mass spectrometer (GC-MS) is frequently used for comprehensive anal. of aroma components in foods because it can be used to easily analyze volatile components, allowing saving of the amount of solvent used. In this study, SPME-GC-MS anal. of sake samples before and after sherry cask storage was performed to investigate the special flavor derived from sherry cask storage. A GC column with polyethylene glycol as the stationary phase, which is the first choice for volatile component anal., was used. However, the peak of the acid having a carbonyl group was tailed due to its bond with the hydroxyl group of the stationary phase. In the anal. of sake samples, a large and tailing peak derived from the large amount of fatty acids in Japanese sake was observed Addnl., it was not possible to analyze other co-eluting components. To overcome this problem, a novel extraction condition was examined using SPME and tris (hydroxymethyl) aminomethane (Tris). By adding Tris solution to sake, the fatty acid peak was removed successfully, thereby facilitating anal. of the peaks of compounds co-eluting with fatty acids and comprehensive anal. of the aroma components in sake. Furthermore, a comparative anal. of sake before and after storage in sherry cask showed that levels of fatty alcs., organic acid esters, fatty acid esters, and terpenes increased significantly after storage in sherry cask, suggesting that these ingredients might constitute the special flavor of sherry cask-stored sake. 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. 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. 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.Recommanded Product: Isopentyl hexanoate

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