Month: October 2022

SDS of cas: 112-62-9In 2022, Welter, Rosilene A.;Santana, Harrson;de la Torre, Lucimara G.;Robertson, Mark;Taranto, Osvaldir Pereira;Oelgemoller, Michael published 《Methyl Oleate Synthesis by TiO₂ Photocatalytic Esterification of Oleic Acid: Optimization by Response Surface Quadratic Methodology, Reaction Kinetics and Thermodynamics》. 《ChemPhotoChem》published the findings. The article contains the following contents:

Me oleate, an example of a FAME (fatty acid Me ester), was produced by oleic acid (OA) photoesterification with TiO₂ and UVA light. Different parameters were evaluated and optimized: catalyst pretreatment, temperature (25-65°C), catalyst loading (1-30% weight/weightOA) and oleic acid : alc. molar ratio (1 : 3-1 : 55). Response surface quadratic methodol. obtained by central composite rotational design (RSM-CCRD) was used to evaluate the main operational conditions of the photoesterification process. A high conversion of 98% (±0.8) at 55°C, 20% TiO₂ (weight/weightOA), and 1(OA) : 55(methanol) molar ratio was achieved. The photoesterification mechanism is furthermore proposed. The Langmuir-Hinshelwood kinetic model considered the forward and backward reaction as first-order fits with the best accuracy (R² of 0.997). The thermodn. results (ΔG_338.15K = -20.75 kJ/mol, ΔH = 13.75 kJ/mol, and ΔS = 0.47 kJ/mol.K) indicate that the operating conditions are important, both to supply the energy requirement of the reaction, but also to increase the miscibility of the reactants.Methyl oleate (cas: 112-62-9) were involved in the experimental procedure.

Methyl oleate(cas: 112-62-9) is an intermediate for detergents, emulsifiers, wetting agents, stabilizers, textile treatments, plasticizers for duplicating inks, rubbers, waxes etc.SDS of cas: 112-62-9 It is also used in biochemical research as a chromatographic reference standard.

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

Molchanov, A. P.;Kostikov, R. R. published 《Synthesis of dispiro[2.1.3.1]nonane and trispiro[2.1.1.3⁷.1⁵.1³]-dodecane》 in 2012. The article was appeared in 《Russian Journal of Organic Chemistry》. They have made some progress in their research.Reference of Diethyl cyclobutane-1,1-dicarboxylate The article mentions the following:

The synthesis of dispiro[2.1.3.1]nonane and trispiro[2.1.1.3⁷.1⁵.1³]-dodecane from di-Et cyclobutane-1,1-dicarboxylate is presented. Unique to the spirocyclic hydrocarbons of three, and/or four membered rings are high strain energy and enhanced reactivity which have versatile benefits in organic synthesis. To complete the study, the researchers used Diethyl cyclobutane-1,1-dicarboxylate (cas: 3779-29-1) .

Diethyl cyclobutane-1,1-dicarboxylate (cas:3779-29-1
) is a solid catalyst that can be used in the synthesis of alkylating agents. It is used in the manufacture of cyclopropyl ketones and has been shown to exhibit anticancer properties.

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

Lee, Isabelle;Na, Mihwa;O’Brien, Devin;Parakhia, Rahul;Alepee, Nathalie;Westerink, Walter;Eurlings, Irene;Api, Anne Marie published 《Assessment of the skin sensitization potential of fragrance ingredients using the U-SENS assay》 in 2022. The article was appeared in 《Toxicology In Vitro》. They have made some progress in their research.Quality Control of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate The article mentions the following:

The U-SENS assay was developed to address the third key event of the skin sensitization adverse outcome pathway (AOP) and is described in OECD test guideline 442E, Annex II. A dataset of 68 fragrance ingredients comprised of 7 non-sensitizers and 61 sensitizers was tested in the U-SENS assay. The potential for fragrance ingredients to activate dendritic cells, measured by U-SENS, was compared to the sensitization potential determined by weight of evidence (WoE) from historical data. Of the non-sensitizers, 4 induced CD86 cell surface marker ≥1.5-fold while 3 did not. Of the sensitizers, 50 were predicted to be pos. in U-SENS, while the remaining 11 were neg. Pos. and neg. predictive values (PPV and NPV) of U-SENS were 93% and 21%, resp. No specific chem. property evaluated could account for misclassified ingredients. Assessment of parent and metabolite protein binding alerts in silico suggests that parent chem. metabolism may play a role in CD86 activation in U-SENS. Combining the U-SENS assay in a “2 out of 3” defined approach with the direct peptide reactivity assay (DPRA) and KeratinoSens predicted sensitization hazard with PPV and NPV of 97% and 24%, resp. Combining complementary in silico and in vitro methods to the U-SENS assay should be integrated to define the hazard classification of fragrance ingredients, since a single NAM cannot replace animal-based methods. The experimental procedure involved many compounds, such as Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Quality Control of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

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

Yu, Zhiqun;Yao, Hongmiao;Xu, Qilin;Liu, Jiming;Le, Xingmao;Ren, Minna published 《Bronsted acid-catalyzed chlorination of aromatic carboxylic acids》. The research results were published in《Phosphorus, Sulfur and Silicon and the Related Elements》 in 2021.Category: esters-buliding-blocks The article conveys some information:

The chlorination of aromatic carboxylic acids with SOCl₂ has been effectively performed by reacting with a Bronsted acid as the catalyst. Based on this discovery, an efficient catalytic method that is cheaper than traditional catalytic methods was developed. 20 substrates were chlorinated offering excellent yields in a short reaction time. And the SOCl₂/Bronsted acid system has been used in a larger scale preparative reaction. A dual activation mechanism was proposed to prove the irreplaceable system of SOCl₂/Bronsted acid.Methyl 3-methylbenzoate (cas: 99-36-5) were involved in the experimental procedure.

Methyl 3-methylbenzoate (cas: 99-36-5) is a common ester.Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids.Category: esters-buliding-blocks Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries.

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

Cahyo Kumoro, Andri;Saeed, Mahmood Taha M. N. published 《Ultrasound-assisted transesterification of tropical goat fat – Palm oil blend for biodiesel synthesis》 in 2022. The article was appeared in 《Energy Conversion and Management: X》. They have made some progress in their research.Quality Control of Methyl oleate The article mentions the following:

The increasing trend of global energy demand has encouraged the development of renewable energies, especially those derived from biomass and agricultural residues. This work aimed to study the effect of catalyst loading, temperature, and methanol-to-oil molar ratio on the yield and the reaction kinetics of ultrasound-assisted transesterification of tropical goat fats for biodiesel synthesis. Prior to trans-esterification, the oil extracted from the tropical goat fat was mixed with an equal volume of tropical palm oil to prevent its solidification tendency. To reduce the free fatty acids content of the mixed oil, it was esterified using a methanol-to-oil molar ratio of 9 employing 1 wt% sulfuric acid as the catalyst at 65 °C and 400 rpm agitation speed for 60 min. Then, the esterified oil was further subjected to an ultrasound-assisted transesterification system with sodium hydroxide catalyst for the reaction kinetics and biodiesel synthesis studies. The biodiesel properties were evaluated by both laboratory tests and BiodieselAnalyzer software, which employs the fatty acid Me ester composition obtained from GC-MS anal. The highest conversion (78.50%) was achieved at 65 °C, 2.5 wt% of NaOH, and 8:1 methanol/oil blend molar ratio for 60 min. The pseudo-first order reaction fitted all the exptl. data very well by giving the R2 values higher than 0.98 and an apparent reaction rate constant of 2.15×10-2 min-1 at the optimum condition. Furthermore, all the examined biodiesel physicochem. properties fulfilled the ASTM D6751 standard suggesting the promising potential of goat fats as the raw material for biodiesel manufactureMethyl oleate (cas: 112-62-9) were involved in the experimental procedure.

Methyl oleate(cas: 112-62-9) is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of oleic acid with methanol.Quality Control of Methyl oleate It is also used in biochemical research as a chromatographic reference standard.

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

Xiao, Zuobing;Chen, Haiting;Niu, Yunwei;Zhu, Jiancai published 《Characterization of the Aroma-Active Compounds in Banana (Musa AAA Red green) and Their Contributions to the Enhancement of Sweetness Perception》 in 2021. The article was appeared in 《Journal of Agricultural and Food Chemistry》. They have made some progress in their research.Category: esters-buliding-blocks The article mentions the following:

“Hongmeiren” bananas are popular because of their red peel. Two extraction methods solvent-assisted flavor evaporation and headspace solid-phase microextraction, combined with gas chromatog.-olfactometry and gas chromatog.-mass spectrometry (GC-MS), were used to analyze the volatile components of “Hongmeiren” bananas. A total of 86 aroma compounds were identified by GC-MS, 62 of which were identified as the major aroma-active compounds with an odor activity value ≥ 1 or modified frequency ≥ 30%. Et (E)-2-butenoate, 4-undecanone, and α-phellandrene were found in bananas for the first time. Sensory experiments showed that eight sweet-associated odorants could significantly achieve the sweetness enhancement effect at 30 g/L sucrose solution by odor-induced changes in taste perception. These experiments suggest that selected odorants can achieve sugar reduction, but with consideration of the sugar concentration The study of the sweetness enhancement effect of individual compounds provides a more direct theor. support for sugar reduction in the food industry. To complete the study, the researchers used 1-Phenylethyl acetate (cas: 93-92-5) .

1-Phenylethyl acetate(cas:93-92-5) is a carboxylic ester. Category: esters-buliding-blocks It may be prepared by acetylation of methyl phenyl carbinol; from 1-bromoethylbenzene and silver acetate in acetic acid; from benzaldehyde by reacting with magnesium methyl bromide and subsequent acetylation.

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

Name: Diethyl cyclobutane-1,1-dicarboxylateIn 2011, Xu, Zhaohui;Jiang, Xintao;Liu, Hong;Liao, Weilin published 《Synthesis of polypropylene catalyst internal donor 1,1-cyclopentyl dimethanoldimethyl ether》. 《Shiyou Lianzhi Yu Huagong》published the findings. The article contains the following contents:

1,1-Cyclopentyl dimethanoldimethyl ether was synthesized from di-Et malonate and 1,4-dibromo butane by alkylation, ester reduction and etherification. The key factors affecting reactions were studied and the optimal reaction conditions were found as follows: (1) for alkylation, by using CsOH as catalyst and when di-Et malonate/CsOH/1,4-dibromobutane molar ratio was 1.0:2.2:1.4, the yield of cyclobutane-1,1-dicarboxylic acid di-Et ester was 93.0%; (2)for ester reduction, using anhydro-ZnCl₂ as catalyst and when cyclopentyl-1,1-dicarboxylic acid di-Et ester/KBH₄ molar ratio was 2.0:1.0, the yield of 1,1-cyclopentyl dimethanol was 88.1%; and (3)for etherification, using tetra-Bu ammonium bromide as catalyst and when 1,1-cyclopentyl dimethanol/NaOH/dimethyl carbonate mass ratio was 1.0:8.0:2.4, the yield of 1,1-cyclopentyl dimethanoldimethyl ether was 61.2%.Diethyl cyclobutane-1,1-dicarboxylate (cas: 3779-29-1) were involved in the experimental procedure.

Diethyl 1,1-cyclobutanedicarboxylate(cas:3779-29-1 Name: Diethyl cyclobutane-1,1-dicarboxylate) also has been shown to have anti-inflammatory properties, which may be due to its ability to inhibit the cb2 receptor and thus interfere with prostaglandin synthesis.

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

Padilha, Jose F.;Frety, Roger;Santos, Alane P.;Pontes, Luis A. M.;Santos, Marilia R.;Arias, Santiago;Pacheco, Jose Geraldo A. published 《Deoxygenation of Oleic Acid Methyl Ester in FCC Process Conditions Over Protonated and Sodium Exchanged Y and ZSM-5 Zeolites》 in 2022. The article was appeared in 《Waste and Biomass Valorization》. They have made some progress in their research.COA of Formula: C19H36O2 The article mentions the following:

One way to take advantage from out-of-specification biodiesel and waste from biodiesel tank bottom drainage is to co-process them in a fluidized catalytic cracking (FCC) unit. The present work deals with the cracking of oleic acid Me ester (OAME) as a biodiesel model, under conditions close to that of FCC process over ZSM-5 and Y zeolites, either in protonated or sodium forms, towards deoxygenated compounds Catalytic fast cracking of OAME pre-adsorbed on the catalyst surface was performed, with a catalyst:OAME mass ratio of 10:1 in a micro-pyrolysis system at 650°C, coupled to a GC/MS for on line anal. of the products. Results show that the cracking of OAME without a catalyst favored the formation of linear alkenes and polyenes. Fast cracking of OAME over HZSM-5 and HY acidic zeolites led to the production of aromatics, due to hydrogen transfer. Cracking over NaY and HY zeolites produced remarkable amounts of ramified saturated hydrocarbons. The formation of alkylated hydrocarbons was not significant over ZSM-5 zeolite probably due to a small pore size of this zeolite. NaY catalyst favored the production of hydrocarbons in the range of kerosene (C8-C12). Low acidic zeolites favored the production of non-aromatic hydrocarbons. Product distribution was affected by catalyst shape selectivity and acidity. These results suggest that residues from the biodiesel chain can be directly co-processed in FCC units to obtain high value hydrocarbons, mainly in the jet fuel and gasoline ranges.Methyl oleate (cas: 112-62-9) were involved in the experimental procedure.

Methyl oleate(cas: 112-62-9) is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of oleic acid with methanol.COA of Formula: C19H36O2 It is also used in biochemical research as a chromatographic reference standard.

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

Electric Literature of C10H12O2《Exploring Plant Performance, Fruit Physicochemical Characteristics, Volatile Profiles, and Sensory Properties of Day-Neutral and Short-Day Strawberry Cultivars Grown in Texas》 was published in 2021. The authors were Scott, Gabrielle;Williams, Cierra;Wallace, Russell W.;Du, Xiaofen, and the article was included in《Journal of Agricultural and Food Chemistry》. The author mentioned the following in the article:

To assist increasing annual acreage of Texas-grown (U.S.A.) strawberries, it is essential to select cultivars with excellent plant and fruit quality characteristics suitable to the diverse environments. This study assessed multiple traits of 10 strawberry cultivars grown under high tunnels. A significant difference (p ≤ 0.05) was observed for all traits, which possessed a wide variability of metabolites. Plant anal. (number of live plants, plant vigor, and harvest yield) indicated that the yield ranged from 226 to 431 g/plant, pos. correlated to plant vigor. Fruit physicochem. characteristic anal., including red color (absorbance at 500 nm) and taste-associated indicators [°Brix, titratable acidity (TA), and total soluble solids (TSS)/TA], showed that °Brix and TSS/TA ranged from 8.0 to 12.9 and from 9.1 to 15.3, resp. More than 300 volatiles were identified using solid-phase microextraction-gas chromatog.-mass spectrometry, and total volatiles varied 1.5 times with high variance of individual compounds between cultivars. Descriptive sensory anal. indicated that strawberry flavor was pos. associated with sensory attributes of sweetness, jammy, fruity, buttery, fresh, and creamy while neg. related to bitterness, astringency, and sourness. Partial least squares regression indicated that strawberry flavor was highly correlated with sweet taste and volatile composition No specific relationship between these traits and day-neutral or June-bearing varieties was identified. Ideal cultivars for Texas growing conditions with superior and balanced flavor qualities were Albion, Sweet Charlie, Camarosa, Camino Real, and Chandler. And 1-Phenylethyl acetate (cas: 93-92-5) was used in the research process.

1-Phenylethyl acetate(cas:93-92-5) is a carboxylic ester. Electric Literature of C10H12O2 It may be prepared by acetylation of methyl phenyl carbinol; from 1-bromoethylbenzene and silver acetate in acetic acid; from benzaldehyde by reacting with magnesium methyl bromide and subsequent acetylation.

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