Category: 1589-47-5

Gharagheizi, Farhad published the artcileGene expression programming strategy for estimation of flash point temperature of non-electrolyte organic compounds, COA of Formula: C4H10O2, the publication is Fluid Phase Equilibria (2012), 71-77, database is CAplus.

The accuracy and predictability of correlations and models to determine the flammability characteristics of chem. compounds are of drastic significance in various chem. industries. In the present study, the main focus is on introducing and applying the gene expression programming (GEP) math. strategy to develop a comprehensive empirical method for this purpose. This work deals with presenting an empirical correlation to predict the flash point temperature of 1471 (non-electrolyte) organic compounds from 77 different chem. families. The parameters of the correlation include the mol. weight, critical temperature, critical pressure, acentric factor, and normal b.p. of the compounds The obtained statistical parameters including root mean square of error of the results from DIPPR 801 data (8.8, 8.9, 8.9 K for training, optimization and prediction sets, resp.) demonstrate improved accuracy of the results of the presented correlation with respect to previously-proposed methods available in open literature.

Fluid Phase Equilibria published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, COA of Formula: C4H10O2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Gharagheizi, Farhad published the artcileComputation of Upper Flash Point of Chemical Compounds Using a Chemical Structure-Based Model, HPLC of Formula: 1589-47-5, the publication is Industrial & Engineering Chemistry Research (2012), 51(13), 5103-5107, database is CAplus.

A quant. structure-property relationship is presented to estimate the upper flash point of pure compounds using a multi-linear equation model with 8 parameters. All parameters are solely computed based on chem. structure. To develop this model, >3000 parameters were evaluated using the genetic algorithm multi-variate linear regression method to select the most statistically effective ones. Maximum average absolute relative deviation (mARD), ARD, squared correlation coefficient, and root mean squares of error from database (DIPPR 801) values for 1294 pure compounds were 25.76%, 3.56%, 0.95, and 17.42 K, resp.

Industrial & Engineering Chemistry Research published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, HPLC of Formula: 1589-47-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Gharagheizi, Farhad published the artcileCorresponding States Method for Estimation of Upper Flammability Limit Temperature of Chemical Compounds, HPLC of Formula: 1589-47-5, the publication is Industrial & Engineering Chemistry Research (2012), 51(17), 6265-6269, database is CAplus.

The accuracy and predictability of predictive methods to determine chem. species flammability characteristics are critically important in the chem. industry. This work continued applying the gene expression programming math. strategy to modify existing thermophys. property correlations available in the literature to: optimize the number of independent parameters; amplify the generality; and improve accuracy and predictability. This work presented a simple corresponding states model to predict the upper flammability limit temperature for 1462 organic compounds from 76 chem. families. Correlation parameters included critical temperature and compound acentric factor. Obtained statistical parameters including average absolute relative deviation of results from the DIPPR 801 database values (1.7, 1.8, and 1.7% for training, optimization, and prediction sets, resp.) demonstrated improved accuracy of presented correlations.

Industrial & Engineering Chemistry Research published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, HPLC of Formula: 1589-47-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Yao, Xuting published the artcileDeactivated TS-1 as efficient catalyst for hydration of cyclohexene to cyclohexanol, Name: 2-Methoxypropan-1-ol, the publication is Huaxue Xuebao (2020), 78(10), 1111-1119, database is CAplus.

Cyclohexanol is an important chem. intermediate material. At present, ZSM-5 is mainly used as a catalyst in the industry to produce cyclohexanol by one-step hydration of cyclohexene. Its core is the development of high-performance catalysts. TS-1 is a high efficient catalyst for industrial liquid-phase ammoniation of cyclohexanone, which shows a typical Bronsted acidity after deactivation. Based on this, we applied the deactivated TS-1 as catalyst for cyclohexene hydration reaction, and investigated systematically the effects of reaction time, reaction temperature, catalyst dosage and mass ratio of water to oil on the hydration reaction of cyclohexene. The results showed that the deactivated TS-1 could offer a high catalytic performance with 11.0% yield and 99.8% selectivity towards cyclohexanol under the optimized reaction conditions, which indicated that the deactivated TS-1 is a high-performance catalyst and possesses the characteristics of high activity, high selectivity and high stability. Combined with nitric acid treating modification, potassium ion exchange experiment and the characterization techniques such as UV-Vis (UV-visible spectroscopy), FT-IR (Fourier transform IR spectrometer), ²⁹Si MAS NMR (²⁹Si magic angle solid NMR), and NH₃-TPD (temperature-programmed desorption of ammonia), it was found that the deactivated TS-1 possesses two kinds of BrΦnsted acid sites, whereas its real active center for the hydration reaction of cyclohexene is silanol group adjacent to titanium hydroxyl group (Si-OH(Ti)). The structure of this BrΦnsted acid site is completely different from the skeleton bridge BrΦnsted acid site (Si-(OH)-Al) of ZSM-5 zeolite, meanwhile shows relatively weak acid strength. The unique acid property of Si-OH(Ti) could promote the main reaction path of cyclohexanol formation and inhibit the side reaction path of cyclohexene isomerization in cyclohexene hydration reaction, which determined its characteristic of high cyclohexanol selectivity. The discovery and application of the special Bronsted acid site of the deactivated TS-1 waste catalyst can provide a new idea for resource utilization of solid waste resources of spent catalyst.

Huaxue Xuebao published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C14H14, Name: 2-Methoxypropan-1-ol.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Wang, Kaijun published the artcileDifferent morphologies of SiO₂@Mg-Al-LDH nanocomposites as catalyst for the synthesis of propylene glycol methyl ether, COA of Formula: C4H10O2, the publication is Journal of Nanoparticle Research (2020), 22(5), 126, database is CAplus.

Layered double hydroxide (LDH) has been recognized as one type of the most promising shell material. In this contribution, SiO₂@Mg-Al-LDH core-shell nanocomposites with different shell morphologies were prepared and characterized via XRD, SEM, TEM, FT-IR, TG-DTA, and BET in detail. The as-prepared SiO2@LDHs exhibit different base catalysis for the synthesis of propylene glycol monomethyl ether (PGME). The results indicate that LDH shell oriented vertically on the core could be generated by the sol-gel method (SG-SiO₂@LDH) and displays the highest catalytic activity and stability among three materials. The horizontally oriented shell morphol. tends to be formed by the self-assembly method (SA-SiO₂@LDH), which maintains the original LDH structure but unstable. The formation of a third morphol. called mixed platelet is contributed to the coexistence of horizontally and vertically platelets. It has been seen in the case of co-precipitation (CP-SiO₂@LDH). Integrating the exptl. result anal., synthesis methods can significantly influence the nucleation rate, which would fabricate different shell morphologies. Furthermore, core-shell nanomaterials with special morphol. may have certain application prospects in solid catalysis.

Journal of Nanoparticle Research published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C6H10F3NO, COA of Formula: C4H10O2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Tang, Kang published the artcileEnhanced catalytic performance of trimethylsilylated Ti-MWW zeolites for the liquid-phase epoxidation of propylene with H₂O₂, Application In Synthesis of 1589-47-5, the publication is Microporous and Mesoporous Materials (2021), 111492, database is CAplus.

The titanosilicate zeolite catalyzed epoxidation of propylene with hydrogen peroxide (H₂O₂, HP) to propylene oxide (PO), the so-called HPPO, is more eco-efficient, compared to the chlorohydrin process and the epoxidation using organic hydroperoxides. However, the zeolite catalysts used in the HPPO process are easily deactivated, because the main byproduct propylene glycol (PG) and other heavy byproducts with high b.ps., derived from the solvolysis of PO, are deposited inside the zeolite micropores. In the present work, trimethylsilylated Ti-MWW zeolites, named Si-Ti-MWW, were developed for the HPPO process. In combination with the results from extensive characterizations for the prepared zeolites, it is found that the trimethylsilylation merely occurs on the external surface of Ti-MWW crystals and can significantly enhance the hydrophobicity, but not alter the coordination states of the Ti species and textural properties of the zeolites. The catalytic properties of Ti-MWW and Si-Ti-MWW were compared in propylene epoxidation The results show that the solvolysis of PO to the byproducts can be effectively inhibited over the hydrophobic zeolite surface, making Si-Ti-MWW exhibit a much higher selectivity for PO and a much better stability and reusability than the parent Ti-MWW in the HPPO process. The current study, therefore, provides a new approach to develop efficient catalysts for the HPPO process.

Microporous and Mesoporous Materials published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C6H13BO3, Application In Synthesis of 1589-47-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Rajendiran, Senkuttuvan published the artcileA heterogenized cobaltate catalyst on a bis-imidazolium-based covalent triazine framework for hydroesterification of epoxides, Formula: C4H10O2, the publication is New Journal of Chemistry (2018), 42(14), 12256-12262, database is CAplus.

An imidazolium-cobaltate-based heterogeneous catalyst exhibits advantages over its homogeneous counterpart in the synthesis of β-hydroxyesters from epoxides. However, leaching of cobaltate from the catalytic support decreases the selectivity and recyclability of the catalyst. To overcome such drawbacks, a bis-imidazolium-based covalent triazine framework (CTF) is employed as a catalytic support for the hydroesterification catalyst to reduce cobaltate leaching by the intramol. anion stabilization effect of the multi-imidazolium moiety, resulting in an excellent selectivity for the β-hydroxyester and unprecedented recyclability.

New Journal of Chemistry published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, Formula: C4H10O2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Wu, Shengde published the artcileFramework for Identifying Chemicals with Structural Features Associated with the Potential to Act as Developmental or Reproductive Toxicants, Category: ethers-buliding-blocks, the publication is Chemical Research in Toxicology (2013), 26(12), 1840-1861, database is CAplus and MEDLINE.

Developmental and reproductive toxicity (DART) end points are important hazard end points that need to be addressed in the risk assessment of chems. to determine whether or not they are the critical effects in the overall risk assessment. These hazard end points are difficult to predict using current in silico tools because of the diversity of mechanisms of action that elicit DART effects and the potential for narrow windows of vulnerability. DART end points have been projected to consume the majority of animals used for compliance with REACH; thus, addnl. nonanimal predictive tools are urgently needed. This article presents an empirically based decision tree for determining whether or not a chem. has receptor-binding properties and structural features that are consistent with chem. structures known to have toxicity for DART end points. The decision tree is based on a detailed review of 716 chems. (664 pos., 16 neg., and 36 with insufficient data) that have DART end-point data and are grouped into defined receptor binding and chem. domains. When tested against a group of chems. not included in the training set, the decision tree is shown to identify a high percentage of chems. with known DART effects. It is proposed that this decision tree could be used both as a component of a screening system to identify chems. of potential concern and as a component of weight-of-evidence decisions based on structure-activity relationships (SAR) to fill data gaps without generating addnl. test data. In addition, the chem. groupings generated could be used as a starting point for the development of hypotheses for in vitro testing to elucidate mode of action and ultimately in the development of refined SAR principles for DART that incorporate mode of action (adverse outcome pathways).

Chemical Research in Toxicology published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C13H9FO, Category: ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Zhang, Zheng published the artcileUltrastrong Interaction and High Dispersibility of TS-1 on Polymer-Modified Carbon Nanotubes/Nickel Foam, Related Products of ethers-buliding-blocks, the publication is Industrial & Engineering Chemistry Research (2019), 58(41), 19033-19041, database is CAplus.

In this paper, monolithic TS-1 (a zeolitic material containing both silicon and titanium) was successfully synthesized on polymer-modified carbon nanotubes/nickel foam (PMTS-1). PMTS-1 had high surface areas and aggregated pores (confined pores formed in an aggregated structure), and TS-1 could be evenly dispersed on the surface, which could facilitate reactant transport and improve dispersibility of TS-1. TS-1 strongly interacted with the polymer-modified CNTs/NF and is highly dispersed because the PDDA-modification could enhance the positivity of CNTs/NF. PMTS-1 was beneficial to the adsorption of the reactant propylene and the desorption of the product propylene oxide, which reduced the side reaction of the deep oxidation of propylene oxide, pore blocking, and coke formation. Also, the adsorption capacity of PMTS-1 to H₂O₂ was enhanced, which created a microenvironment conducive to the forward reaction. After the reaction, PMTS-1 was easily separated from the reactants, which offered an economical application prospect.

Industrial & Engineering Chemistry Research published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C12H21NO7, Related Products of ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Oguzcan, Semih published the artcileEnvironmental impact assessment model for substitution of hazardous substances by using life cycle approach, Formula: C4H10O2, the publication is Environmental Pollution (Oxford, United Kingdom) (2019), 254(Part_A), 112945, database is CAplus and MEDLINE.

Regulations that are indirectly driving the substitution of hazardous chems., such as the EU REACH regulation, necessitate improvements in chem. alternatives assessment frameworks. In those frameworks, life cycle thinking lacks some important aspects such as systematic and quant. occupational safety methods and risks from intermediate chems. that are not released to the environment under normal operating conditions. Concerns of companies about regulatory drivers regarding substances of very high concern often lead to inadequate evaluation of the baseline situation; an issue also overlooked by the frameworks. Moreover, life cycle assessment is optional for assessors with limited resources, such as small and medium enterprises. However, the success of substitution should not be evaluated without life cycle concerns. An environmental impact assessment model has been suggested to overcome these shortcomings of the chem. alternatives assessment frameworks. The model was applied to a case study of primed metal sheet production, where the company was driven to substitute reprotoxic 2-methoxypropanol used in their formulations. The results show that the proposed model is promising for solving the mentioned shortcomings, informing the assessor about substances of very high concern along the life cycle, and it has the potential to be further improved with the help of supporting software and databases.

Environmental Pollution (Oxford, United Kingdom) published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, Formula: C4H10O2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem