Category: 695-06-7

Are In Silico Approaches Applicable As a First Step for the Prediction of e-Liquid Toxicity in e-Cigarettes? was written by Zarini, Daniele;Sangion, Alessandro;Ferri, Emanuele;Caruso, Enrico;Zucchi, Sara;Orro, Alessandro;Papa, Ester. And the article was included in Chemical Research in Toxicology in 2020.Electric Literature of C6H10O2 This article mentions the following:

Recent studies have raised concerns about e-cigarette liquid inhalation toxicity by reporting the presence of chems. with European Union CLP toxicity classification. In this scenario, the regulatory context is still developing and is not yet up to date with vaping current reality. Due to the paucity of toxicol. studies, robust data regarding which components in tent. In this study we applied computational methods for studied chems. as a useful tool for predicting the acute toxicity of chems. contained in e-liquids The purpose of t the potential health concerns associated with e-liquid ingredients, (b) to prioritize e-liquid ingredients by calculating the e-tox index, and (c) to estimate acute toxicity of e-liquid mixtures QSAR models were generated using QSARINS software to fill the acute toxicity data gap of 264 e-liquid ingredients. As a second step, the potential acute toxicity of e-liquids mixtures was evaluated. Our preliminary data suggest that a computational approa serve as a roadmap to enable regulatory bodies to better regulate e-liquid composition and to contribute to consumer health protection. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Electric Literature of C6H10O2).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is 纬-valerolactone.Electric Literature of C6H10O2

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

Evolution Analysis of Free Fatty Acids and Aroma-Active Compounds during Tallow Oxidation was written by Song, Shiqing;Zheng, Feiting;Tian, Xiaoyan;Feng, Tao;Yao, Lingyun;Sun, Min;Shi, Lei. And the article was included in Molecules in 2022.Application In Synthesis of 5-Ethyldihydrofuran-2(3H)-one This article mentions the following:

To explore the role of fatty acids as flavor precursors in the flavor of oxidized tallow, the volatile flavor compounds and free fatty acid (FFAs) in the four oxidization stages of tallow were analyzed via gas chromatog. (GC)-mass spectrometry (MS), the aroma characteristics of them were analyzed by GC-olfactory (GC-O) method combined with sensory anal. and partial least-squares regression (PLSR) anal. 12 common FFAs and 35 key aroma-active compounds were obtained. Combined with the results of odor activity value (OAV) and FD factor, benzaldehyde was found to be an important component in unoxidized tallow. (E,E)-2,4-Heptadienal, (E,E)-2,4-decadienal, (E)-2-nonenal, octanal, hexanoic acid, hexanal and (E)-2-heptenal were the key compounds involved in the tallow flavor oxidation The changes in FFAs and volatile flavor compounds during oxidation and the metabolic evolution of key aroma-active compounds are systematically summarized in this study. The paper also provides considerable guidance in oxidation control and meat flavor product development. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Application In Synthesis of 5-Ethyldihydrofuran-2(3H)-one).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Application In Synthesis of 5-Ethyldihydrofuran-2(3H)-one

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

Are In Silico Approaches Applicable As a First Step for the Prediction of e-Liquid Toxicity in e-Cigarettes? was written by Zarini, Daniele;Sangion, Alessandro;Ferri, Emanuele;Caruso, Enrico;Zucchi, Sara;Orro, Alessandro;Papa, Ester. And the article was included in Chemical Research in Toxicology in 2020.Electric Literature of C6H10O2 This article mentions the following:

Recent studies have raised concerns about e-cigarette liquid inhalation toxicity by reporting the presence of chems. with European Union CLP toxicity classification. In this scenario, the regulatory context is still developing and is not yet up to date with vaping current reality. Due to the paucity of toxicol. studies, robust data regarding which components in tent. In this study we applied computational methods for studied chems. as a useful tool for predicting the acute toxicity of chems. contained in e-liquids The purpose of t the potential health concerns associated with e-liquid ingredients, (b) to prioritize e-liquid ingredients by calculating the e-tox index, and (c) to estimate acute toxicity of e-liquid mixtures QSAR models were generated using QSARINS software to fill the acute toxicity data gap of 264 e-liquid ingredients. As a second step, the potential acute toxicity of e-liquids mixtures was evaluated. Our preliminary data suggest that a computational approa serve as a roadmap to enable regulatory bodies to better regulate e-liquid composition and to contribute to consumer health protection. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Electric Literature of C6H10O2).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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. 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.Electric Literature of C6H10O2

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

The alleviation of methyl jasmonate on loss of aroma lactones correlated with ethylene biosynthesis in peaches was written by Cai, Hongfang;Han, Shuai;Yu, Mingliang;Ma, Ruijuan;Yu, Zhifang. And the article was included in Journal of Food Science in 2020.Name: 5-Ethyldihydrofuran-2(3H)-one This article mentions the following:

The occurrence of CI results in irreversible aroma loss, especially ‘peach-like’ lactones loss during cold storage and subsequent shelf life. Me jasmonate (MeJA) treatment is effective in alleviating CI symptoms in peach fruit; however, its effect on peach aroma volatiles is still unknown. To explore the effect and mechanism of MeJA treatment on aroma loss of peaches, fruit was treated with 10μmol/L MeJA, then stored at 4°C for 3 wk, and subsequently transferred to 20°C to simulate shelf life for 3 days. Here, the ability of MeJA to regulate aroma lactones of ‘Xiahui 6’ peaches was investigated, and the expression of genes responsible for ethylene and lactones biosynthesis was considered. MeJA treatment significantly reduced internal browning index, increased ethylene production, and promoted the emission of aroma-related lactones in peaches during shelf life at room temperature In addition, MeJA also elevated the expression of PpSAMS, PpACS3, PpACS4, PpACO, and PpACX3 during or after cold storage. These results suggested that MeJA treatment could enhance chilling tolerance in peaches and induce the recovery of ethylene and aroma lactones, which is closely related to ethylene biosynthesis as revealed by upregulated genes expression of PpSAMS, PpACS3/4, and PpACO. Practical Application : This research provides theor. basis for the application of Me jasmonate in fruit preservation and the basis for mol. breeding to cultivate aroma-abundant peach fruits. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Name: 5-Ethyldihydrofuran-2(3H)-one).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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.Name: 5-Ethyldihydrofuran-2(3H)-one

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

Characterization of key odorants in Langyatai Baijiu with Jian flavour by sensory-directed analysis was written by Du, Jingyi;Li, Yueming;Xu, Jianchun;Huang, Mingquan;Wang, Juan;Chao, Jinfu;Wu, Jihong;Sun, Huibin;Ding, Haimei;Ye, Hong. And the article was included in Food Chemistry in 2021.Reference of 695-06-7 This article mentions the following:

A study was carried out to determine systematically the key aroma-active compounds of Langyatai Baijiu with Jian flavor (LBJF) using sensory omics anal. (SOA). A total of 56 odorants were screened out using gas chromatog.-olfactometry-mass spectrometry (GC-O-MS)/Osme anal. Among them, 15 aroma-active components were first identified. After quantitation, 30 odorants had odor activity values (OAVs) > 1.0 in LBJF. Recombinant and omission experiments proved that the esters, alcs., acids, especially Et hexanoate, gamma-nonalactone, and di-Me trisulfide, were critical to the flavor of LBJF. The basic and com. liquors had obvious differences in the skeleton compositions of esters and acids. This study uncovers the characteristics of Jian flavor Baijiu (JFB) and provides a scientific basis for the quality control of JFB, which is helpful for the development of Chinese Baijiu flavor styles. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Reference of 695-06-7).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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. 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.Reference of 695-06-7

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

Effect of fatty acids on the flavor formation of fish sauce was written by Ding, Anzi;Zhu, Meng;Qian, Xiaoqing;Shi, Liu;Huang, Huang;Xiong, Guangquan;Wang, Jun;Wang, Lan. And the article was included in LWT–Food Science and Technology in 2020.Synthetic Route of C6H10O2 This article mentions the following:

An appropriate fish model helps track changes of lipid and fatty acid during fermentation Here we selected three freshwater fish (Culter alburnus, Carassius auratus and Ietalurus Punetaus) as the fermentative materials of fish sauce due to their significantly different contents of lipid and unsaturated fatty acid. The electronic nose showed that the flavor profiles of sauce samples prepared with different fish were dramatically different. A total of 71 volatile compounds of fish sauce were detected by solid-phase microextraction-gas chromatog.-mass spectrometry (SPME-GC/MS). Then nine key flavor compounds, including 3-methylbutanal, 3-methyl-1-butanol, 3-(methylthio)propanal, 1-octen-3-ol, phenylacetaldehyde, nonanal, di-Me trisulfide, decanal and hexanol, were screened based on odor activity values. According to correlation anal. between fatty acid profiles and fish sauce aroma, possible pathways of oleic acid (C18:1) and linoleic acid (C18:2) oxidation were suggested: oleic acid undergone the auto-oxidation to mainly form 10- hydroperoxide and 11- hydroperoxide, and (or) secondary form 8-hydroperoxide, then converted to nonanal, octanal and decanal; linoleic acid undergone the enzymic oxidation to form 10-L(S)-hydroperoxy-cis-9, trans-11-octadecadieuoic acid, then converted to 1-octen-3-ol. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Synthetic Route of C6H10O2).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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. 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.Synthetic Route of C6H10O2

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

Understanding the aroma diversity of Dancong tea (Camellia sinensis) from the floral and honey odors: Relationship between volatile compounds and sensory characteristics by chemometrics was written by Chen, Wei;Hu, Die;Miao, Aiqing;Qiu, Guangjun;Qiao, Xiaoyan;Xia, Hongling;Ma, Chengying. And the article was included in Food Control in 2022.Quality Control of 5-Ethyldihydrofuran-2(3H)-one This article mentions the following:

Dancong is a Chinese oolong tea famous for its aroma diversity. However, this diversity in characteristic is challenging to be clarified in either sensory or chem. aspects. In this study, the aromas from Dancong teas were characterized based on the typical odors of “floral” and “honey”. The volatile compounds underlying the odors were investigated through chemometrics. Seventy Dancong teas of various categories were collected to approx. the diversity in aroma. According to the sensory evaluation, the floral or honey odor was detected in every sample. For volatile characterization, 57 compounds were identified by gas chromatog.-mass spectrometry (GC-MS) coupled with headspace-solid phase microextraction (HS-SPME) across samples. The difference in floral and honey odors was related to volatile variation among the teas, as both the odor-based classification and the volatile-based unsupervised learning analyses yielded consistent sample clustering patterns. Nine volatiles were identified as putative markers for the odor difference, where indole, (E)-nerolidol, 2-phenylacetonitrile, and γ-caprolactone accounted for the floral odor predominance, while hexyl 2-methylbutanoate, (Z)-3-hexenyl pentanoate, (Z)-linalool oxide (pyranoid), (E)-linalool oxide (furanoid), and (Z)-linalool oxide (furanoid) contributed to the honey odor perception. These results point to a volatile-endorsed categorization framework based on the floral and honey odors that can assist in Dancong aroma quality control. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Quality Control of 5-Ethyldihydrofuran-2(3H)-one).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. 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 5-Ethyldihydrofuran-2(3H)-one

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

Characterization of the key aroma-active compounds in Yongchuan douchi (fermented soybean) by application of the sensomics approach was written by Wang, Shuqi;Chang, Yuan;Liu, Bing;Chen, Haitao;Sun, Baoguo;Zhang, Ning. And the article was included in Molecules in 2021.Application In Synthesis of 5-Ethyldihydrofuran-2(3H)-one This article mentions the following:

Yongchuan douchi is a traditional fermented soya bean product which is popular in Chinese dishes due to its unique flavor. In this study, the key aroma-active compounds of Yongchuan douchi were characterized by the combined gas chromatog.-olfactometry (GC-O) and gas chromatog.-mass spectrometry (GC-MS) with sensory evaluation. In total, 49 aroma compounds were sniffed and identified, and 20 of them with high flavor dilution factors (FD) and odor activity values (OAVs) greater than one were screened by applied aroma extract dilution anal. (AEDA) and quantitated anal. Finally, aroma recombination and omission experiments were performed and 10 aroma-active compounds were thought to have contributed significantly including 2,3-butanedione (butter, cheese), di-Me trisulfide (garlic-like), acetic acid (pungent sour), acetylpyrazine (popcorn-like), 3-methylvaleric acid (sweaty), 4-methylvaleric acid (sweaty), 2-mehoxyphenol (smoky), maltol (caramel), γ-nonanolactone (coconut-like), eugenol (woody) and phenylacetic acid (flora). In addition, sensory evaluation showed that the flavor profile of Yongchuan douchi mainly consisted of sauce-like, sour, nutty, smoky, caramel and fruity notes. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Application In Synthesis of 5-Ethyldihydrofuran-2(3H)-one).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Application In Synthesis of 5-Ethyldihydrofuran-2(3H)-one

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

Mass spectrometry-based electronic nose to authenticate 100% Italian durum wheat pasta and characterization of volatile compounds was written by Cervellieri, Salvatore;Lippolis, Vincenzo;Mancini, Erminia;Pascale, Michelangelo;Logrieco, Antonio Francesco;De Girolamo, Annalisa. And the article was included in Food Chemistry in 2022.Product Details of 695-06-7 This article mentions the following:

Headspace solid-phase microextraction (HS-SPME) coupled with mass spectrometry-based electronic nose (MS-eNose), in combination with multivariate statistical anal. was used as untargeted method for the rapid authentication of 100% Italian durum wheat pasta. Among the tested classification models, i.e. PCA-LDA, PLS-DA and SVMc, SVMc provided the highest accuracy results in both calibration (90%) and validation (92%) processes. Potential markers discriminating pasta samples were identified by HS-SPME/GC-MS anal. Specifically, the content of a pattern of 8 out of 59 volatile organic compounds (VOCs) was significantly different between samples of 100% Italian durum wheat pasta and pasta produced with durum wheat of different origins, most of which were related to different lipidic oxidation in the two classes of pasta. The proposed MS-eNose method is a rapid and reliable tool to be used for authenticating Italian pasta useful to promote its typicity and preserving consumers from fraudulent practices. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Product Details of 695-06-7).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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.Product Details of 695-06-7

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

Influence of post-harvest moisture on roasted almond shelf life and consumer acceptance was written by Luo, Kathleen K.;Chapman, Dawn M.;Lerno, Larry A.;Huang, Guangwei;Mitchell, Alyson E.. And the article was included in Journal of the Science of Food and Agriculture in 2021.Synthetic Route of C6H10O2 This article mentions the following:

BACKGROUND : The harvest weights of sweet almonds (Prunus dulcis) have significantly increased to meet consumer demand and now exceed processing facility capabilities. Crops are stockpiled for longer periods, increasing the probability of moisture exposure. Wet almonds can be mech. dried prior to processing; however, it is unclear how this practice influences lipid oxidation, shelf-life, and consumer acceptance. To address this, almonds were exposed to 8% moisture and dried with low heat (ME). Almonds were roasted and stored under accelerated conditions for 12 mo and markers of lipid oxidation, headspace volatiles, sensory attributes, and consumer liking were evaluated. RESULTS : At 7 mo of storage, light roast ME almonds had higher levels of volatiles related to lipid oxidation than non-moisture exposed almonds (NME) and were significantly higher in oxidized, cardboard and painty / solvent flavors. Although untrained consumers did not show significant preferences between the light roast ME and NME almonds, there were quality losses related to lipid oxidation that trained panelists could detect. Dark roast ME almonds demonstrated significant lipid oxidation by 5 mo of storage, indicating they will have a compromised shelf life. Findings also indicate that octanal, nonanal, 2-octenal, and hexanoic acid are good indicators of consumer acceptability. CONCLUSION : The results of this research illustrate that post-harvest moisture exposure with mech. drying has a significant effect on the storage quality of roasted almonds and is most pronounced in dark roast products. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Synthetic Route of C6H10O2).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Synthetic Route of C6H10O2

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