Month: November 2022

Sweet sorghum stalk liquefaction in supercritical methanol: Effects of operating conditions on product yields and molecular composition of soluble fraction was written by Yan, Hong-Lei;Zong, Zhi-Min;Li, Zhan-Ku;Kong, Jiao;Zheng, Quan-Xi;Li, Yan;Wei, Xian-Yong. And the article was included in Fuel Processing Technology in 2017.Computed Properties of C20H40O2 The following contents are mentioned in the article:

Liquefaction of sweet sorghum stalk (SSS) in supercritical methanol was carried out under different conditions, including temperature, holding time, and SSS-to-methanol ratio. Each reaction mixture was filtrated to afford residue and bio-oil (BO, i.e., methanol-soluble portion). The optimal conditions were determined to be 300 °C and 30 min based on the BO yield and the maximum yield of BO is 40.5 wt% with higher heating value of 25.1 kJ g^– 1. Low SSS-to-methanol ratio, i.e., either more methanol volume or less SSS dose, benefits the BO yield. According to gas chromatograph/mass spectrometric anal., the compounds detected in the BOs can be grouped into hydrocarbons, alcs., phenolic compounds (PCs), methoxybenzenes, ketones, esters, and others. Among them, PCs and esters are the most abundant. Guaiacols and alkylphenols are predominant PCs, which were mainly originated from the decomposition of lignin in SSS. Esters can be further classified into long-chain Me esters (LCMEs), short-chain Me esters (SCMEs), di-Me diesters, and polymethyl benzenepolycarboxylates. The variation of esters mainly relied on LCME and SCME change with varied reaction conditions. This study involved multiple reactions and reactants, such as Methyl nonadecanoate (cas: 1731-94-8Computed Properties of C20H40O2).

Methyl nonadecanoate (cas: 1731-94-8) 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.Computed Properties of C20H40O2

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

Germanium Hydride Catalyzed Selective Hydroboration and Cyanosilylation of Ketones was written by Khuntia, Anwesh Prasad;Sarkar, Nabin;Patro, A. Ganesh;Sahoo, Rajata Kumar;Nembenna, Sharanappa. And the article was included in European Journal of Inorganic Chemistry in 2022.Category: esters-buliding-blocks The following contents are mentioned in the article:

Two new examples of β-diketiminate or NacNac analogs, i. e., conjugated bis-guanidinate (CBG) stabilized low valent germanium chloride (1) and germanium hydride (2) complexes, are reported. Deprotonation of LH upon treatment with n-BuLi and an in situ generated LLi further treated with GeCl₂·dioxane afforded LGeCl in 79% yield. Compound 1 reacted with hydride source NaHBEt₃ in toluene, afforded Ge (II) hydride (2) in 76% yield. Both compounds 1 and 2 were characterized by NMR and mass spectroscopic methods. Further, germanium hydride catalyzed hydroboration and cyanosilylation of a wide range of ketones have been investigated. Control reactions suggest hydroboration reactions occurred via insertion and Ge-O/B-H bond metathesis pathways. It is worthy of mentioning that, in the case of hydroboration of ketones, reducible groups such as alkene, alkyne, halide, ester, nitro, and heterocycles were untouched. Furthermore, compound 2 was employed for the reduction of carbonate, formate, and anhydride substrates via the hydroboration technique. This study involved multiple reactions and reactants, such as Diphenyl carbonate (cas: 102-09-0Category: esters-buliding-blocks).

Diphenyl carbonate (cas: 102-09-0) 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. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.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

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

Ring opening copolymerization of e-caprolactone and diselenic macrolide carbonate for well-defined poly(ester-co-carbonate): kinetic evaluation and ROS/GSH responsiveness was written by Wang, Jiahao;Sun, Chuanhao;Hu, Jieni;Huang, Yanling;Lu, Yunxiang;Zhang, Yan. And the article was included in Polymer Chemistry in 2020.Application In Synthesis of Diphenyl carbonate The following contents are mentioned in the article:

A resurgence of interest has recently propelled poly(e-caprolactone) (PCL) back into the biomaterials arena. Herein, we reported a new poly(ester-co-carbonate) via the copolymerization of e-CL and a diselenic macrolide carbonate monomer (M_SeSe). The structure of the copolymer was confirmed by NMR, FTIR and GPC. The kinetic exptl. studies showed that the monomer reactivity ratios of e-CL (r₁) and M_SeSe (r₂) were different and the final sequence distribution of the copolymer was random, which agreed well with the theor. results based on d. functional theory (DFT) calculations The results of DSC and XRD consistently indicated that the copolymers were inclined to be amorphous with the increase in the M_SeSe fraction. UV, DLS and TEM techniques were employed to demonstrate the variation of transmittance, size and the morphol. of copolymer micelles subjected to the GSH and ROS environments, and the mechanism was clarified by FTIR and GPC, which demonstrated that the copolymers had rich environment responsiveness. Therefore, poly(ester-co-carbonate) with higher ROS and GSH sensitivity has great potential in the biomaterials field. This study involved multiple reactions and reactants, such as Diphenyl carbonate (cas: 102-09-0Application In Synthesis of Diphenyl carbonate).

Diphenyl carbonate (cas: 102-09-0) 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. 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 Diphenyl carbonate

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

Effect of polymer matrix on the performance of pressure-sensitive paint comprising 5,10,15,20-tetrakis(pentafluorophenyl)porphinato platinum(II) and poly(1,1,1,3,3,3-hexafluoroisopropyl-co-tert-butyl methacrylates) was written by Obata, Makoto;Asato, Ryo;Hirohara, Shiho;Mitsuo, Kazunori. And the article was included in Journal of Applied Polymer Science in 2016.Quality Control of 1,1,1,3,3,3-Hexafluoroisopropylmethacrylate The following contents are mentioned in the article:

Copolymers of 1,1,1,3,3,3-hexafluoroisopropyl methacrylate (HFIPM) and tert-Bu methacrylate (TBM) were prepared by conventional radical copolymerization as a novel binders for pressure-sensitive paints (PSP). The monomer reactivity ratios r_HFIPM and r_TBM were determined as 0.45 and 0.67, resp. The glass transition temperature of the copolymers increased from 77 to 126°C with increasing mole fraction of TBM units in the copolymer. The PSP were formed by combining the resulting copolymers and 5,10,15,20-tetrakis(pentafluorophenyl)porphinato platinum(II). The pressure and temperature sensitivities of the PSPs were measured at air pressures ranging from 5 to 120 kPa and at temperatures ranging from 0 to 60°C. Modified Stern-Volmer plots indicated slight increases in the pressure sensitivity, but significant decrease in the temperature sensitivity as the mole fraction of HFIPM units increased in the copolymer. Applying a theor. model to our calibration data, we inferred that luminescence quenching is primarily responsible for increasing the temperature sensitivity in the resulting copolymers. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43316. This study involved multiple reactions and reactants, such as 1,1,1,3,3,3-Hexafluoroisopropylmethacrylate (cas: 3063-94-3Quality Control of 1,1,1,3,3,3-Hexafluoroisopropylmethacrylate).

1,1,1,3,3,3-Hexafluoroisopropylmethacrylate (cas: 3063-94-3) 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.Quality Control of 1,1,1,3,3,3-Hexafluoroisopropylmethacrylate

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

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