Tag: M.W=150-200

Meng, Qinghui published the artcileA theoretical investigation on Bell-Evans-Polanyi correlations for hydrogen abstraction reactions of large biodiesel molecules by H and OH radicals, Application of Methyl decanoate, the main research area is hydrogen hydroxide biodiesel combustion activation energy enthalpy rate constant.

High-accuracy prediction of activation energies and enthalpies of reaction is theor. important while computationally challenging for accurately determining the kinetic para. of chem. reactions in biodiesel combustion. In practice, the Bell-Evans-Polanyi (BEP) correlations between the activation energy and the enthalpy of reaction play an important role in fast estimation with acceptable accuracy. In the present study, the BEP correlations for hydrogen abstraction reactions of biodiesel surrogates by H and OH radicals were theor. investigated by using high-level orbital-based and ONIOM-based methods. Reaction classes for these reactions were defined based on distinctive ele. inter. due to the complex characteristics of esters. Linear BEP correlations were established for each reaction class and validated by the high-level calculations, with deviations being less than 0.90 kcal/mol. The rate constants of some representative hydrogen abstraction reactions were calculated by using the BEP correlations and other approx. theories. These rate constants validate the BEP assumpn. of similar pre-exptl. factors for the reactions in the same group, and they are found to agree reasonably well with the available data in literature. Furthermore, improved predictn. to exptl. data were obtained by using an existing kinetic model of Me decanoate oxidation updated with the calculated rate constants The present BEP correlations are believed to provide effective solutions to some kinetic issues of real biodiesel combustion.

Combustion and Flame published new progress about Activation energy. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Application of Methyl decanoate.

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

Jeon, Woo-Young published the artcileMicrobial production of sebacic acid from a renewable source: production, purification, and polymerization, SDS of cas: 110-42-9, the main research area is sebacate production plant oil engineering omega oxidation Candida; nylon 610 synthesis sebacate production C10 FAME biotransformation Candida.

Sebacic acid (SA) is an aliphatic ten-carbon dicarboxylic acid (1,10-decanedioic acid) with a variety of industrial applications, including the production of plasticizers, lubricants, cosmetics, and plastics. Currently, SA is produced exclusively from alk. pyrolysis of castor oil. Herein, we present an environmentally friendly green route of SA production from plant oil-derived sources by microbial ω-oxidation We genetically engineered β-oxidation-blocked diploid yeast Candida tropicalis, and created an effective microbial cell factory with an increase of 46% in SA production by overexpression of genes involved in ω-oxidation of hydrocarbons compared to the original strain. A biotransformation process of SA production from decanoic acid Me ester was developed to overcome the challenges of high-d. cell culture, substrate feed, substrate/intermediate toxicity, and foam generation. Fed-batch production of engineered C. tropicalis resulted in a molar yield of above 98%, a productivity of 0.57 g L-1 h-1, and a final titer of 98.3 g L-1 in a 5-L fermenter and the results were successfully reproduced using a larger scale 50-L fermenter. The produced SAs were successfully purified to >99.8% using acid precipitation and recrystallization Finally, bio-nylon 610 was successfully synthesized by polymerization of the purified SA with hexamethylenediamine and showed thermal properties very similar to those of com. available nylon 610. The processes developed and described in this study can be employed to produce and isolate SA for the synthesis of bio-nylons, using environmentally friendly procedures based on microbial biotransformation with potential industrial applications.

Green Chemistry published new progress about Candida tropicalis. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, SDS of cas: 110-42-9.

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

Gardner, Jennifer Margaret published the artcileThe effect of grape juice dilution and complex nutrient addition on oenological fermentation and wine chemical composition, Formula: C9H18O2, the main research area is grape juice dilution nutrient addition oenol fermentation wine.

The impact of water addition and complex nutrient addition to grape juice in laboratory scale winemaking, on both alc. and malolactic fermentation duration and outcome has been examined using com. wine yeasts, Lalvin EC1118 and Lalvin R2 and malolactic bacteria Lalvin VP41. As expected, dilution with water did not impede fermentation, instead resulted in shortened duration, or in the case of malolactic fermentation enabled completion in these conditions. Addition of complex organic nutrient further shortened alc. fermentation by Lalvin R2 and in some conditions also reduced the duration of malolactic fermentation In general, compounds contributing to wine aroma and flavor were present at lower concentrations at the end of fermentation where juices were diluted and the addition of organic complex nutrient also influenced the concentration of some compounds in wine. These findings are significant to com. winemaking, highlighting that winemakers should consider potential impacts of juice dilution on processing efficiencies along with wine flavor and aroma.

Journal of Food Composition and Analysis published new progress about Catabolism, animal. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Formula: C9H18O2.

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

Omaiye, Esther E. published the artcileElectronic Cigarette Refill Fluids Sold Worldwide: Flavor Chemical Composition, Toxicity, and Hazard Analysis, Quality Control of 140-11-4, the main research area is electronic cigarette fluid flavor toxicity hazard.

Flavor chems. in electronic cigarette (EC) fluids, which may neg. impact human health, have been studied in a limited number of countries/locations. To gain an understanding of how the composition and concentrations of flavor chems. in ECs are influenced by product sale location, we evaluated refill fluids manufactured by one company (Ritchy LTD) and purchased worldwide. Flavor chems. were identified and quantified using gas chromatog./mass spectrometry (GC/MS). We then screened the fluids for their effects on cytotoxicity (MTT assay) and proliferation (live-cell imaging) and tested authentic standards of specific flavor chems. to identify those that were cytotoxic at concentrations found in refill fluids. A total of 126 flavor chems. were detected in 103 bottles of refill fluid, and their number per/bottle ranged from 1-50 based on our target list. Two products had none of the flavor chems. on our target list, nor did they have any nontargeted flavor chems. A total of 28 flavor chems. were present at concentrations � mg/mL in at least one product, and 6 of these were present at concentrations �0 mg/mL. The total flavor chem. concentration was � mg/mL in 70% of the refill fluids and �0 mg/mL in 26%. For sub-brand duplicate bottles purchased in different countries, flavor chem. concentrations were similar and induced similar responses in the in vitro assays (cytotoxicity and cell growth inhibition). The levels of furaneol, benzyl alc., ethyl maltol, Et vanillin, corylone, and vanillin were significantly correlated with cytotoxicity. The margin of exposure calculations showed that pulegone and estragole levels were high enough in some products to present a nontrivial calculated risk for cancer. Flavor chem. concentrations in refill fluids often exceeded concentrations permitted in other consumer products. These data support the regulation of flavor chems. in EC products to reduce their potential for producing both cancer and noncancer toxicol. effects.

Chemical Research in Toxicology published new progress about Cell proliferation. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Quality Control of 140-11-4.

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

Liu, Pei-Tong published the artcileComparing the effects of different unsaturated fatty acids on fermentation performance of Saccharomyces cerevisiae and aroma compounds during red wine fermentation, Name: Ethyl octanoate, the main research area is Saccharomyces unsaturated fatty acid aroma red wine fermentation; Saccharomyces cerevisiae; linoleic acid; oleic acid; red wine; volatile aroma compounds; α-linolenic acid.

To understand the individual enol. function of different unsaturated fatty acids (UFAs), the separated effects of three different UFAs, linoleic acid (LA), oleic acid (OA), and α-linolenic acid (ALA), on yeast fermentation and aroma compounds were investigated in the alc. fermentation of Cabernet Sauvignon wine. The results showed that, besides concentration, UFAs types could also influence fermentation process and volatiles in final wine. Low concentrations of UFAs (12 and 60 mg/L), especially LA and OA, significantly promoted fermentation activity and most volatiles when compared to the control, however, the effect became the inhibition with increasing concentrations of UFAs (120 and 240 mg/L). It was interesting to find that OA addition (12 and 60 mg/L) could generate more acetate esters (especially isoamyl acetate) in wine, while 12 mg/L LA facilitated more fatty acids formation (octanoic acid and decanoic acid). In comparison, 120 and 240 mg/L ALA produced more amount of C6 alcs. (1-hexanol) and higher alcs. (iso-Bu alc. and 2,3-butanediol). UFAs additions were unfavorable for Et esters formation, except for an increment of Et hexanoate in 12 mg/L OA wine. As a result, different aromatic profiles of wines were generated by variations of UFAs types and levels, as shown by PCA. The transcriptional data revealed that the expressions of aroma-related genes, such as BAT1, BAT2, PDC1, PDC5, PDC6, ACC1, FAS1, ATF1, EEB1, and EHT1 were correlated with aroma compounds productions in different treatments. Our data suggested that the three UFAs have different enol. functions and they could generate different aromatic profiles. Thus, besides concentrations, it is essential to consider the types of UFAs when applying the strategy to adjust UFAs contents to modulate the aromatic quality of wines.

Molecules published new progress about Cell proliferation. 106-32-1 belongs to class esters-buliding-blocks, name is Ethyl octanoate, and the molecular formula is C10H20O2, Name: Ethyl octanoate.

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

Goel, Reema published the artcileA Computational Approach for Respiratory Hazard Identification of Flavor Chemicals in Tobacco Products, Recommanded Product: Benzyl acetate, the main research area is chemoinformatic respiratory health hazard flavor material tobacco product.

Flavor chems. contribute to the appeal and toxicity of tobacco products, including electronic nicotine delivery systems (ENDS). The assortment of flavor chems. available for use in tobacco products is extensive. In this study, a chem.-driven computational approach was used to evaluate flavor chems. based on intrinsic hazardous structures and reactivity of chems. A large library of 3012 unique flavor chems. was compiled from publicly available information. Next, information was computed and collated based on their (1) physicochem. properties, (2) Global Harmonization System (GHS) health hazard classification, (3) structural alerts linked to the chem.’s reactivity, instability, and/or toxicity, and (4) common substructure shared with FDA’s harmful and potentially harmful constituents (HPHCs) flavor chems. that are respiratory toxicants. Computational anal. of the constructed flavor library flagged 638 chems. with GHS classified respiratory health hazards, 1079 chems. with at least one structural alert, and 2297 chems. with substructural similarity to FDA’s established and proposed list of HPHCs. A subsequent anal. was performed on a subset of 173 chems. in the flavor library that are respiratory health hazards, contain structural alerts as well as flavor HPHC substructures. Four general toxicophore structures with an increased potential for respiratory toxicity were then identified. In summary, computational methods are efficient tools for hazard identification and understanding structure-toxicity relationship. With appropriate context of use and interpretation, in silico methods may provide scientific evidence to support toxicol. evaluations of chems. in or emitted from tobacco products.

Chemical Research in Toxicology published new progress about Chemical stability. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Recommanded Product: Benzyl acetate.

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

Piesik, Dariusz published the artcileEffect of Lugus sp. feeding and a saponin application on volatiles released by quinoa, Safety of Benzyl acetate, the main research area is Chenopodium Lygus saponin volatile compound.

In consequence of insect feeding and saponin application tested quinoa plants released large amounts of volatile organic compounds (VOCs) to compare to control. For cv. ‘Faro’ these were the following components: (Z)-3-hexenal – (Z)-3-HAL, (E)-2-hexenal – (E)-2-HAL, (Z)-3-hexen-1 -ol – (Z)-3-HOL, (E)-2-hexen-1 -ol – (E)-2-HOL, (Z)-3-hexen-1 -yl acetate – (Z)-3-HAC, 1 -hexyl acetate – 1 -HAC, (Z)-ocimene – (Z)-OCI, benzyl acetate – BAC, Me salicylate – MAT, β- caryophyllene – β-CAR, (E)-β-farnesene – (E)-β-FAR. Cv. ‘Puno’ released 7 VOCs and these were: (Z)-3-HAL, (Z)-3- HOL, (Z)-3-HAC, (Z)-OCI, MAT, β-CAR, and (E)- β-FAR. The fragrance bouquet of the third of variety tested (cv. ‘Titicaca’) consisted of 6 components: (Z)-3-HAL, (E)-2-HAL, (E)-2-HOL, (Z)-3-HAC, (Z)-OCI, and β-CAR. In general, much larger VOCs emission was observed in plants after insect feeding compared to saponin applications and especially control.

Pakistan Journal of Botany published new progress about Chenopodium quinoa. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Safety of Benzyl acetate.

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

Einfalt, Daniel published the artcileCharacterization of volatile compounds in quality-ranked gins, Recommanded Product: Ethyl nonanoate, the main research area is volatile compound gins sesquiterpenes odorants.

There is a large economic interest to characterize food products by objective anal. methods. This study characterized volatile compounds in different gins. Headspace Solid Phase Micro Extraction coupled with Gas Chromatog.-Olfactometry Anal. identified 67 odorants in ten com. available gins. 69% Of the odorants were identified as mono- and sesquiterpenes, representing phytochems. of juniper berries and other plants. Furthermore, this study quantified 19 volatile compounds in gins of different sensory quality ranks. Principal Component Anal. identified six major gin compounds (MGC) with the highest effect on data variance. MGC contained monoterpenes β-pinene, γ-terpinene, limonene, ρ-cymene, β-myrcene and sabinene. Quantity ratios of each MGC were determined as percentage of total MGC concentration MGC ratios of limonene, β-pinene and γ-terpinene showed significant differences between sensorial gold- and bronze-ranked gins. Gold-ranked gins showed MGC ratios of 27.4 ± 10.3% limonene, 12.4 ± 4.5% β-pinene and 9.7 ± 2.0% γ-terpinene. Bronze-ranked gins showed MGC ratios of 55.5 ± 20.8% limonene. The results indicated that the analyzed bronze-ranked gins had increased limonene quantity ratios compared to the gold-ranked gins. This investigation presents for the first time anal. differences between quality-ranked gins and may contribute to further studies on gin analytics.

Mitteilungen Klosterneuburg published new progress about Coriandrum sativum. 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, Recommanded Product: Ethyl nonanoate.

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

Duan, Bobo published the artcileAccess to α,α-dithioketones through direct di-sulfenylation of methyl ketones mediated by KOH-DMSO system, Recommanded Product: Benzyl acetate, the main research area is ketone alkylthio arylthio preparation; methyl ketone sulfenylation selenylation disulfide diselenide superbase system.

A direct di-sulfenylation of Me ketones R1C(O)Me (R1 = Me, i-Pr, cyclopropyl, Ph, 2-thienyl, 2-pyridyl, etc.) with disulfides R2SSR2 [R2 = Me, Ph, 4-MeC6H4, Et2NC(S), 2-pyridyl, etc.] mediated by KOH-DMSO superbase system has been developed. This method provides an efficient route to α,α-dithioketones R1C(O)CH(SR2)2 and has the advantages of readily available non-prefunctionalized substrates, good functional group tolerance, excellent yields as well as high selectivity. In a single operation, two C-S bonds are simultaneously built on the same carbon atom under mild reaction conditions. The procedure was extended to the reaction of acetophenone with di-Ph diselenide which afforded the keto bis(selenide) PhC(O)CH(SePh)2 in 81% yield.

Tetrahedron Letters published new progress about C-S bond formation. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Recommanded Product: Benzyl acetate.

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

Nedele, Ann-Kathrin published the artcileCharacterization of cheesy odor formed during fermentation of soy drink with Agrocybe aegerita, Computed Properties of 140-11-4, the main research area is cheesy odor fermentation soy drink Agrocybe; Agrocybe aegerita; Cheesy flavor; Fermentation; Short-chain fatty acids; Soy drink.

The market for plant protein-based substitutes for cheeses is growing, but the sensory properties are distinctively different from the original products. Hence, natural and vegan cheesy flavors are needed to aromatize the products. A cheesy, sweaty and parmesan-like aroma was produced by fermentation of soy drink with Agrocybe aegerita. Aroma dilution anal. revealed short-chain fatty acids (SCFAs) as main influencing cheesy odorants analyzed by gas chromatog.-mass spectrometry-olfactometry. In comparison to the five cheese varieties, the SCFA profile of the fermented soy drink revealed similarities with Parmesan and Emmental cheese. Meanwhile, principal component anal. showed an approximation of the aroma profile after fermentation with A. aegerita to those of cheeses. 3-Methylbutanoic acid was synthesized from the protein fraction, while the oil fraction contributed to the formation of unbranched SCFAs like butanoic acid. Accordingly, the production of these compounds can be increased by addition of the fractions.

Food Chemistry published new progress about Cyclocybe aegerita. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Computed Properties of 140-11-4.

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