Category: 112-59-4

Hydrotropic Extraction of Carnosic Acid from Rosemary with Short-Chain Alkyl Polyethylene Glycol Ethers was written by Mazaud, Agathe;Lebeuf, Raphael;Laguerre, Mickael;Nardello-Rataj, Veronique. And the article was included in ACS Sustainable Chemistry & Engineering in 2020.Application of 112-59-4 The following contents are mentioned in the article:

Carnosic acid (CA) is a hydrophobic secondary metabolite and the main antioxidant of rosemary. Extractions of CA from whole leaves of rosemary have been performed with aqueous solutions of 12 short-chain alkyl polyethylene glycol ethers, abbreviated as C_iE_j with i = 4-8 and j = 1-4. Such compounds act as hydrotropes which are known to enhance the solubilization of hydrophobic mols. in water while avoiding the formation of liquid crystals like surfactants. The extractions are compared with those carried out with alcs., sodium xylene sulfonate (SXS) which is an archetypical ionic hydrotrope, and longer C_iE_j (i = 10 or 12 and j = 4) which behave as true surfactants. C₅E₂ and C₄E₁ are the best candidates and provide 1.21 g/L CA in 21 h and 1.02 g/L in 8 h, resp. They are more efficient than SXS and alc. aqueous solutions Correlations between the chem. structure and activity have highlighted three requirements for better performances: (i) a small mol. volume V_m (<250 ų), (ii) a log P above 1, and (iii) a linear alkyl chain rather than a branched one. Finally, kinetic study and optical microscopy observations of the leaves after extraction give insight into the mode of action of the C₄E_j compared to ethanol. Here, we investigate the use of aqueous solutions of nonionic hydrotropes to extract phytochems. in a process that mitigates emissions of volatile organic compounds compared to extraction routes using conventional solvents. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Application of 112-59-4).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. 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.Application of 112-59-4

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Co-pyrolytic performances, mechanisms, gases, oils, and chars of textile dyeing sludge and waste shared bike tires under varying conditions was written by Tang, Xiaojie;Chen, Xi;He, Yao;Evrendilek, Fatih;Chen, Zhiyun;Liu, Jingyong. And the article was included in Chemical Engineering Journal (Amsterdam, Netherlands) in 2022.Product Details of 112-59-4 The following contents are mentioned in the article:

The massive industrial wastes of textile dyeing sludge (TDS) and waste shared bike tires are becoming increasingly problematic environmentally and economically. Their co-pyrolysis maybe an affordable and eco-friendlier alternative so as to reduce their waste volumes and emissions, as well as recover value-added oils and chars. This study was the first to characterize the TDS co-pyrolysis with rubber (RT) vs. polyurethane (PUT) tires and their performances, mechanisms, emissions, oils, and chars as a function of temperature and blend type and ratio. The co-pyrolysis increased the total weight loss from 51.76% with TDS to 55.30% with 50% TDS and 50% RT (TR55) and to 68.92% with TP55. TR55 and TP55 yielded the best performances, with the stronger synergistic effect with the TP than TR co-pyrolysis. The optimal reaction models were second-order (F2) and five-dimension diffusion (D5) for the two devolatilization sub-stages for TDS, two thirds-order (F1.5) for the TR55 and the second and fourth sub-stages of the TP55, and F2 for the first and third sub-stages of the TP55. The co-pyrolysis reduced emissions of CO, SO₂, and nitrous compounds, did not change their temperature dependency, and produced more hydrocarbon products. The TR co-pyrolysis produced more D-limonene and isoprene and inhibited the isomerization of D-limonene. The TP co-pyrolysis further decomposed diaminodiphenylmethane into low-mol. weight benzene series such as toluene and styrene. The co-pyrolytic chars had higher branching degree of aliphatic side chain and bridge bond, with the TP ones having the enhanced char aromaticity. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Product Details of 112-59-4).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. 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. 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.Product Details of 112-59-4

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Gas chromatography/electron ionization mass spectrometric analysis of oligomeric Polyethylene Glycol Monoalkyl Ethers was written by Onigbinde, Adebayo O.;Munson, Burnaby;Amos-Tautua, Bamidele M. W.. And the article was included in Research Journal of Applied Sciences, Engineering and Technology in 2013.SDS of cas: 112-59-4 The following contents are mentioned in the article:

Polyethylene Glycol Monoalkyl Ethers, C_xH_2x+1(OC₂H₄)_nOH, (PEGMAE), are polar compounds like Polyethylene Glycols (PEG) and they undergo microbial degradation which produces toxic substances that are potentially dangerous to the environment. Therefore, the purpose of this study is to carry out proper identification and characterization of these compounds The Electron Ionization (EI) and Chem. Ionization (CI) spectra of various PEGMAE were obtained by Gas Chromatog./Mass Spectrometry (GC/MS) and were used to identify and characterize these compounds The characteristic cleavages in the EI and CI reactions of PEGMAEs were also studied. The results obtained showed that the methane CI mass spectra of the PEGMAE contain MH⁺ ions and fragment ions similar to those found in their EI mass spectra. The relative abundances of the MH⁺ ions are low, variable and increase with increasing sample size across the chromatog. peaks; but do not increase with increasing x or n. The base peaks of the low mass oligomers (x ≤ 3) are PEG related (e.g., m/z 45, 59) but those of higher mass oligomers (x ≥ 4) include the ion at m/z 63 (HOC₂H₄OH)H⁺ or m/z 107 (HO(C₂H₄O)₂H)H⁺. There are no (MH-H₂O)⁺ ions or protonated dimer ions (n ≥ 2, x ≥ 2) in the spectra of PEGMAE. The Relative Molar Sensitivities (RMS) or the Relative Sensitivity per G (RSG) increases linearly with mol. polarizabilty or mol. weight with a non-zero intercept. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4SDS of cas: 112-59-4).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. 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 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. SDS of cas: 112-59-4

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Evidence of corresponding states in ternary microemulsions of water-alkane-C_iE_j was written by Sottmann, T.;Strey, R.. And the article was included in Journal of Physics: Condensed Matter in 1996.HPLC of Formula: 112-59-4 The following contents are mentioned in the article:

Exptl. evidence of corresponding states in water, n-alkane (C_κH_2κ+2), and n-alkyl polyethylene glycol ether (C_iE_j) systems is presented. Striking similarities in both the phase behavior and the interfacial tensions for a variety of systems are highlighted. For some selected systems the trajectories f the middle phases in the three-phase regime are precisely determined Projections of the middle-phase trajectories onto the ϕ_c-ϕ plane of the phase prism shape nearly perfect parabolae, whereas the projections onto the T-ϕ plane exhibit a sigmoidal shape. Here ϕ_c is the surfactant volume fraction, and ϕ is the oil-in-water-plus-oil volume fraction. It is found that the trajectories collapse into single curves, if the surfactant concentration scale is reduced by the maximum of the parabolae, ϕ̅_c, which is the surfactant volume fraction of the sym. microemulsion, and if the temperature axis is reduced by the difference of the upper and lower critical endpoint temperature, T_u-T_l. It is found that the maximum length scale ξ̅ α ϕ̅_c^-1 set by the surfactant volume fraction can be used to reduce the interfacial tension scale, that is plotting σ_abϕ̅_c^-2 vs. the reduced temperature scale. These reductions yield a remarkable superposition of the interfacial tension data of 17 different systems, the carbon number of the oil κ ranging from 8 to 14, the hydrophilic surfactant head j from 3 to 6 and the surfactant tail length i from 8 to 12. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4HPLC of Formula: 112-59-4).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. 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. 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. HPLC of Formula: 112-59-4

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Surface Properties of Alkyl-di(oxyethylene) β-D-Maltoside was written by Fu, Fang;Fan, Yulin;Chen, Langqiu;Zhang, Jing;Li, Jiping;Liao, Jingyi;Zhang, Guochao. And the article was included in Journal of Agricultural and Food Chemistry in 2022.Category: ethers-buliding-blocks The following contents are mentioned in the article:

A series of nonionic disaccharide-based surfactants alkyl-di(oxyethylene) β-D-maltosides ( n = 6-16), e.g. I, were synthesized, and their physicochem. properties were further investigated. Six β-D-maltosides (n = 8-16) exhibited a fan-shaped texture feature, whereas hexyl-di(oxyethylene) β-D-maltoside had the strongest hygroscopicity. Owing to the incorporation of the hydrophilic dioxyethyl spacer (-(OCH₂CH₂)₂-), the related water solubility improved significantly. Tetradecyl-di(oxyethylene) β-D-maltoside had good water solubility, whereas hexadecyl-di(oxyethylene) β-D-maltoside had weak water solubility Meanwhile, the surface tension of β-D-maltosides (n = 6-14) had a decreasing tendency with increasing the alkyl chain length, whereas 4g had the best surface activity. Furthermore, decyl-di(oxyethylene) β-D-maltoside had the best foaming ability and foam stability. Dodecyl-di(oxyethylene) β-D-maltoside I had the best emulsifying property in the rapeseed oil/water system. In contrast, both ammonium dodecyl sulfate (NH₄DS)/I and cetyltrimethylammonium chloride (CTAC)/I binary surfactant systems showed a synergistic effect in surface activity because the C_CMC/CMC^id_mix was <1. NaCl impacted the surface activity of the aqueous I solution through salt-surfactant synergistic effects. The results showed that such surfactants should have potential applications in the related field in the future. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Category: ethers-buliding-blocks).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. 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. 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: ethers-buliding-blocks

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Water Transport Polymers: Structure/Property Relationships of a Series of Phosphazene Polymers was written by Stone, Mark L.;Orme, Christopher J.;Peterson, Eric S.;Bauer, William F.;Stewart, Frederick F.;Harrup, Mason K.;Luther, Thomas A.;Klaehn, John R.;Wey, John E.. And the article was included in Separation Science and Technology in 2010.COA of Formula: C10H22O3 The following contents are mentioned in the article:

A study was undertaken to explore the water passing properties of a series of phosphazene polymers vs. the attached pendant group structure. Pendant groups containing different numbers of ethyleneoxy groups were synthetically attached to the backbone of phosphazene polymers. Phosphazene polymers facilitate these types of studies because, during their synthesis, the polymer backbone is formed first and then the desired pendant groups are attached through nucleophilic substitution. For these studies, four polymer series were synthesized and tested for their water passing properties. The polymers contained different amounts of ethyleneoxy units. Two different polymer families were synthesized and compared in this work. The critical difference in the two polymer series is that one contained pendant groups with aromatic rings, in addition to the oligioethyleneoxy moieties, while the other has no aromatic rings in its structure. Polymers with Ph group-containing pendant groups exhibited poor water permeability if they possessed fewer than six ethyleneoxy units. Polymers with more than six ethyleneoxy units inserted between the Ph ring (tail) and the polymeric backbone exhibited reasonable water permeability. Two addnl. series of polymers with mixed pendant groups were synthesized and the water passing properties of the phosphazenes varied in proportion to the hydrophilic to hydrophobic balance induced by each individual pendant group. A final study of polymers with shorter pendant groups demonstrated the effect of pendant group on water permeability. These studies suggest that the polyphosphazenes may be tailored for specific water passing applications. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4COA of Formula: C10H22O3).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. 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. 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.COA of Formula: C10H22O3

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Solid-state inclusion compounds of small amphiphilic molecules (C_nE_m) in β-cyclodextrin: a study at defined relative humidities was written by Cunha-Silva, Luis;Teixeira-Dias, Jose J. C.. And the article was included in New Journal of Chemistry in 2005.Application of 112-59-4 The following contents are mentioned in the article:

Solid-inclusion compounds of ethylene glycol Bu ether (C₄E₁), di(ethylene glycol) Bu ether (C₄E₂) and di(ethylene glycol) hexyl ether (C₆E₂) in β-cyclodextrin (βCD), with general formula represented by the notation {βCD·C_nE_m}, were prepared from aqueous solution and characterized by powder X-ray diffraction (PXRD), thermogravimetric anal. (TGA), FT-Raman and ¹³C CP MAS NMR spectroscopies, at ambient humidity, as true hydrated microcrystalline inclusion compounds, pointing to a cage structure for {βCD·C₄E₁} and a channel structure for both {βCD·C₄E₂} and {βCD·C₆E₂}. In addition, the inclusion compounds were investigated at several defined relative humidities (RHs). Several relative intensities of βCD Raman bands generally ascribed to C-O stretching and CH₂ bending vibrations are found to be influenced by the presence of guests in the βCD cavity or the increase of ambient humidity, or by both of these factors. PXRD patterns show that crystalline structures are preserved for RHs equal or above 20%. Interestingly, important changes on the multiplicity of resonances and in the dispersions of ¹³C CP MAS NMR chem. shifts values for all the carbon atoms of the βCD macrocycle are observed in passing from RH 15% to 20%, suggesting amorphous structures below RH 20%. Overall, the above findings converge to stress the structural relevance of hydration water in the βCD inclusion compounds, either with a cage packing arrangement or with a channel structure. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Application of 112-59-4).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. 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. 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.Application of 112-59-4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Preliminary phytochemical and GC-MS analyses of methanolic extract of Blechnum orientale L. collected from Kothiyar, Kanyakumari District, Tamil Nadu, India was written by Fredrick, Raja E.;John, Peter Paul J.. And the article was included in Journal of Drug Delivery and Therapeutics in 2019.Safety of 2-(2-(Hexyloxy)ethoxy)ethanol The following contents are mentioned in the article:

The aim of the study was to screen the phytochems. of methanolic extract of Blechnum orientale L. collected from Kothiyar, located in Kanyakumari district, Tamil Nadu, India. The preliminary phytochem. anal. was carried out by Harborne method, followed by GC-MS anal. In the preliminary phytochem. anal. of Blechnum orientale L., the presence of twelve different types of secondary metabolites such as alkaloids, anthocyanin, anthraquinones, cardiac glycosides, coumarin, diterpenes, emodins, flavonoids, saponins, steroids, tannins and triterpenoids were reported in methanolic extract GC-MS spectrum of methanolic extract of Blechnum orientale L. showed 20 different major peaks which indicated the presence of 20 compounds The prevailing compounds in methanol extract were toluene (1.927min), thiazole, 4,5-dihydro-2-methyl- (2.249min), ethylbenzene (2.466min), benzene, 1,3-dimethyl- (2.523min), phosphine, acetyldimethyl- (2.684min), guanethidine (4.584min), 2-propanamine, n-methyl-n-nitroso- (5.303min), 4h-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl- (5.435min), diethylene glycol hexyl ether (6.333min), 2,2-dimethylpropanoic acid, nonyl ester (6.655min), 8-thiabicyclo[3.2.1]oct-2-ene (7.156min), 4h-pyrazole, 3-tert-butylsulfanyl-4,4-bistrifluoromethyl- (9.217min), 1,3-benzenediol, 4-propyl- (11.250min), cyclohexanone, 2-methyl-5-(1-methylethenyl)- (13.775min), 2,4-hexadienal, (E,E)- (14.210min), n-hexadecanoic acid (14.966min), phytol (16.451min), 2(1h)-naphthalenone, octahydro-4a-methyl-7-(1-methylethyl)-, (4a.alpha.,7.beta.,8a.beta.)- (16.602min), 7-pentadecyne (16.659min) and 1,4-bis (trimethylsilyl) benzene (20.186min) resp. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Safety of 2-(2-(Hexyloxy)ethoxy)ethanol).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. 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 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. Safety of 2-(2-(Hexyloxy)ethoxy)ethanol

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Validation of a gas chromatography-mass spectrometry isotope dilution method for the determination of 2-butoxyethanol and other common glycol ethers in consumer products was written by Tokarczyk, Ryszard;Jiang, Ying;Poole, Gary;Turle, Richard. And the article was included in Journal of Chromatography A in 2010.Application In Synthesis of 2-(2-(Hexyloxy)ethoxy)ethanol The following contents are mentioned in the article:

A gas chromatog.-mass spectrometry isotope dilution (GC-MS ID) method was developed and tested for the determination of 14 common glycol ethers in consumer products. Stable isotope labeled standards, 2-methoxyethanol-D₇ and 2-butoxyethanol-¹³C₂ (CDN isotopes) were employed to enhance the accuracy and precision of the glycol ethers determination A 1000-fold sample dilution with methanol was applied to avoid column overload and contamination. At this dilution matrix effects were in most cases negligible and did not interfere with the anal. The instrument detection limit (IDL) for analyzed compounds varied from 0.01 to 1 μg/mL; while the estimated limit of quantification (LoQ) varied between different glycol ethers from 0.02 to 3.4 μg/mL. Calibration was tested at 0.1-200 μg/mL and showed that the linear fit is upheld from 0.1 to 10 μg/mL, and extends beyond this range for some of the analytes. Recoveries of glycol ethers from products with different matrixes were similar. The recoveries varied from 87% to 116% between the analyzed compounds, while measurements precision varied between 2% and 14%. The method is applicable to products with glycol ether concentrations >0.002-0.2% (weight/weight). The concentration range can be extended below the specified limits by decreasing the dilution factor; however, with lower dilution the sample matrix effect is expected to be stronger. Products with very high concentrations of glycol ether (>20%) may need to be further diluted prior to injection to avoid column overload. The method can be used for testing liquid and aerosol products designed for household use, such as cleaners, paints, solvents and paint strippers, for compliance and enforcement of regulations which limit glycol ethers content. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Application In Synthesis of 2-(2-(Hexyloxy)ethoxy)ethanol).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. 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 In Synthesis of 2-(2-(Hexyloxy)ethoxy)ethanol

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization was written by Alves, Vinicius M.;Muratov, Eugene;Fourches, Denis;Strickland, Judy;Kleinstreuer, Nicole;Andrade, Carolina H.;Tropsha, Alexander. And the article was included in Toxicology and Applied Pharmacology in 2015.Recommanded Product: 2-(2-(Hexyloxy)ethoxy)ethanol The following contents are mentioned in the article:

Skin permeability is widely considered to be mechanistically implicated in chem.-induced skin sensitization. Although many chems. have been identified as skin sensitizers, there have been very few reports analyzing the relationships between mol. structure and skin permeability of sensitizers and non-sensitizers. The goals of this study were to: (i) compile, curate, and integrate the largest publicly available dataset of chems. studied for their skin permeability; (ii) develop and rigorously validate QSAR models to predict skin permeability; and (iii) explore the complex relationships between skin sensitization and skin permeability. Based on the largest publicly available dataset compiled in this study, we found no overall correlation between skin permeability and skin sensitization. In addition, cross-species correlation coefficient between human and rodent permeability data was found to be as low as R² = 0.44. Human skin permeability models based on the random forest method have been developed and validated using OECD-compliant QSAR modeling workflow. Their external accuracy was high (Q²_ext = 0.73 for 63% of external compounds inside the applicability domain). The extended anal. using both exptl.-measured and QSAR-imputed data still confirmed the absence of any overall concordance between skin permeability and skin sensitization. This observation suggests that chem. modifications that affect skin permeability should not be presumed a priori to modulate the sensitization potential of chems. The models reported herein as well as those developed in the companion paper on skin sensitization suggest that it may be possible to rationally design compounds with the desired high skin permeability but low sensitization potential. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Recommanded Product: 2-(2-(Hexyloxy)ethoxy)ethanol).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. 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.Recommanded Product: 2-(2-(Hexyloxy)ethoxy)ethanol

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem