Category: 103-16-2

The recovery of strontium from acidic medium using novel strontium selective extractant: an experimental and DFT study was written by Khan, Pasupati Nath;Bhattacharyya, A.;Sharma, J. N.;Manohar, S.. And the article was included in Journal of Hazardous Materials in 2020.Category: ethers-buliding-blocks The following contents are mentioned in the article:

In view of the limited solvent system known for the Sr²⁺ extraction from acidic media, extraction and recovery of ⁹⁰Sr from acidic medium using novel Octabenzyloxyoctakis[[[((N,N-diethylamino)carbonyl)]methyl]oxy]calix[8]arene (BOC8A) extractant in nitro alkane medium are presented.. BOC8A and nitro alkanes have been synthesized and characterized by ¹H NMR, ¹³C NMR, FTIR and GC-MS techniques. Solvent composition of 0.01 M BOC8A in nitro octane (NO) has been optimized for substantial amount of extraction of strontium from feed acidity of 3.5-4 M nitric acid, (D_{3.5-4 M HNO3} = 7.1-7.8). Poor extraction of Pu⁴⁺, Ba²⁺, Na⁺ and UO₂⁺² and negligible extraction of Am³⁺, Cs⁺, Ru³⁺, Nd³⁺, Zr²⁺ and trivalent lanthanides are observed Ion dissociation mechanism was found to be operative involving an extractable complex having Sr²⁺, BOC8A and HNO₃ in a ratio of 1:1:2. About 99% of Sr²⁺ from the loaded solvent was recovered with 0.01 M HNO₃. DFT calculations were used to predict the structures of free, protonated BOC8A and its complex with Sr²⁺. DFT result showed reorientation in conformation of BOC8A due to protonation resulting in the Sr²⁺ extraction from acidic medium with significantly high interaction energy between Sr²⁺ and diprotonated form of BOC8A. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Category: ethers-buliding-blocks).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. 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. 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.Category: ethers-buliding-blocks

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

Towards supramolecular nanostructured materials: control of the self-assembly of ionic bent-core amphiphiles was written by Castillo-Valles, Martin;Cano, Miguel;Bermejo-Sanz, Ana;Gimeno, Nelida;Ros, M. Blanca. And the article was included in Journal of Materials Chemistry in 2020.COA of Formula: C13H12O2 The following contents are mentioned in the article:

Control of the bottom-up self-assembly of ionic bent-core dendrimers has been systematically studied by mol. design. This process gave rise to architectures with diverse packing, shapes and dimensions to construct structured materials at the nanoscale. The compact organization of the mols. achieved in bent-core mesophases was transferred or induced to self-assemblies in the presence of water – even in the case of non-mesogenic dendrimers. The subtle balance of mol.-mol. and mol.-solvent interactions regulated the morphol. of the aggregates and these ranged from rods, non-twisted or twisted fibers, helical ribbons and nanotubes. The structure obtained was dependent on the choice of dendritic nucleus, the bent-core structure (from 5 to 3 aromatic ring systems), the lateral moiety and the length of the outer flexible tails. The rigid nature of the chem. structure controlled the type of mol. packing in the layers and allowed mol. conformational chirality to be transmitted to the supramol. aggregates, despite achiral mols. being used. The short/long terminal chain lengths determined the type of curvature of the ribbons. Some of these self-assemblies are proposed as alternatives to the attractive and widely applied helical nanofilaments formed by bent-core mesogens, but, thanks to their amphiphilic nature, the novel compounds can be processed from solution Moreover, the self-assembly process was studied in an effort to elucidate the aggregation mechanism of these bent-shaped amphiphiles and to define exptl. protocols to provide high quality and homogeneous aggregates. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2COA of Formula: C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) 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. 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.COA of Formula: C13H12O2

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

Towards supramolecular nanostructured materials: control of the self-assembly of ionic bent-core amphiphiles was written by Castillo-Valles, Martin;Cano, Miguel;Bermejo-Sanz, Ana;Gimeno, Nelida;Ros, M. Blanca. And the article was included in Journal of Materials Chemistry in 2020.COA of Formula: C13H12O2 The following contents are mentioned in the article:

Control of the bottom-up self-assembly of ionic bent-core dendrimers has been systematically studied by mol. design. This process gave rise to architectures with diverse packing, shapes and dimensions to construct structured materials at the nanoscale. The compact organization of the mols. achieved in bent-core mesophases was transferred or induced to self-assemblies in the presence of water – even in the case of non-mesogenic dendrimers. The subtle balance of mol.-mol. and mol.-solvent interactions regulated the morphol. of the aggregates and these ranged from rods, non-twisted or twisted fibers, helical ribbons and nanotubes. The structure obtained was dependent on the choice of dendritic nucleus, the bent-core structure (from 5 to 3 aromatic ring systems), the lateral moiety and the length of the outer flexible tails. The rigid nature of the chem. structure controlled the type of mol. packing in the layers and allowed mol. conformational chirality to be transmitted to the supramol. aggregates, despite achiral mols. being used. The short/long terminal chain lengths determined the type of curvature of the ribbons. Some of these self-assemblies are proposed as alternatives to the attractive and widely applied helical nanofilaments formed by bent-core mesogens, but, thanks to their amphiphilic nature, the novel compounds can be processed from solution Moreover, the self-assembly process was studied in an effort to elucidate the aggregation mechanism of these bent-shaped amphiphiles and to define exptl. protocols to provide high quality and homogeneous aggregates. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2COA of Formula: C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. 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. 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: C13H12O2

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

Design and synthesis of novel benzothiophene analogs as selective estrogen receptor covalent antagonists against breast cancer was written by Bai, Chengfeng;Ren, Shengnan;Wu, Shuangjie;Zhu, Meiqi;Luo, Guoshun;Xiang, Hua. And the article was included in European Journal of Medicinal Chemistry in 2021.COA of Formula: C13H12O2 The following contents are mentioned in the article:

Endocrine therapy (ET) has benefited patients with estrogen receptor alpha (ERα) pos. breast cancer for decades. Selective estrogen receptor modulator (SERM) such as Tamoxifen represents the clin. standard of care (SoC). Despite the therapeutic importance of current SoC agents, 30-50% of prolonged treatment patients inevitably generated resistant tumor cells, usually eventually suffered tumor relapse and developed into metastatic breast cancer (MBC), which was the leading cause of female cancer-related mortality. Among these, most resistant tumors remained dependent on ERα signaling, which reignited the need for the next generation of ERα related agents. Authors hypothesized that selective estrogen receptor covalent antagonists targeting ERα would provide a therapeutic alternative. In the current work, series of novel benzothiophene hybrids I (R₁ = H, Me; R₂ = Me; R₁R₂ = (CH₂)₃, (CH₂)₅, etc.) II, III (R₃ = R₄ = H, Me) and IV bearing electrophile moieties were synthesized and biol. evaluated. The representative analog I (R₁R₂ = (CH₂)₃) exhibited potent anti-proliferative effect in MCF-7 cell lines in vitro, and further mechanism studies confirmed the necessity of covalent bonding. More importantly, I could attenuate the expression of TFF-1, GREB-1 and down-regulate the levels of cellular ERα protein. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2COA of Formula: C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. 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.COA of Formula: C13H12O2

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

Imine based chiral liquid crystals: Effect of varying the terminal substituent and orientation of ester linking unit was written by Karanlik, Gurkan;Ocak, Hale;Bilgin Eran, Belkiz. And the article was included in Journal of Molecular Liquids in 2019.Related Products of 103-16-2 The following contents are mentioned in the article:

New liquid crystalline compounds composed of three-benzene-ring mol. core comprising both the imine and ester linkage units, (S)-3,7-dimethyloctyloxy chiral unit at one of terminals and n-dodecyl/dodecyloxy group as other side chain have been synthesized and characterized to study the effect of varying terminal chains, the orientation of polar ester linking group and the presence of mol. chirality on mesophase properties of imine based calamitic compounds The liquid crystalline properties of the compounds were investigated by differential scanning calorimetry, optical polarizing microscopy and electro-optic methods. As a result of the strong effect of chirality of (S)-3,7-dimethyloctyloxy chain, all Schiff bases (imines) exhibit enantiotropic chiral smectic C (SmC*), chiral nematic (N*) as well as SmX phase just below the SmC* phase and blue phase (BP) appearing monotropically. The SmC* phase shows ferroelec. switching behavior with P_S values in the range 70-130 nC cm^-2. The alteration of the n-alkyl tail with an alkoxy chain gives rise to a significant increase up to 30 °C in mesomorphic transitions. The change in the orientation of polar ester linking group has no effect on the type and sequence of observed LC phase. As compared with (S)-4-(3,7-dimethyloctyloxy)phenol based imine derivatives (7a, 7b), the chiral nematic (N*) mesophase temperature range of (S)-4-(3,7-dimethyloctyloxy)benzoate based compounds (8a, 8b) significantly broadened. Addnl., a decrease on the phase transition temperatures occurred with regardless of introducing n-dodecyl/dodecyloxy group as side chains. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Related Products of 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) 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. 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.Related Products of 103-16-2

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

Autologously transplanted dermis-derived cells alleviated monobenzone-induced vitiligo in mouse was written by Erdogan, Asli;Mutlu, Hasan Serdar;Solakoglu, Seyhun. And the article was included in Experimental Dermatology in 2022.Synthetic Route of C13H12O2 The following contents are mentioned in the article:

Vitiligo is a depigmentation disease which affects skin and hair follicles with a prevalence of 0.5%-1% worldwide. In this study, we aimed to investigate treatmental potential of dermis-derived cells in monobenzone (MBEH)-induced mouse vitiligo model with light and electron microscopy. MBEH (40%) cream was topically applied to C57BL/6 mice until depigmentation occurred in vitiligo and exptl. groups. In exptl. groups, dermis-derived cells obtained from back skin biopsy samples before induction of vitiligo, were injected intradermally to vitiligo mice. On Days 3 and 15 after cell transplantation to exptl. groups, skin biopsies were compared with biopsies of control and vitiligo groups. Dermis-derived cells obtained from back skin biopsy samples of exptl. groups showed nestin and versican immunoreactivity. Melanin in hair follicles of control group was detected by histochem. stainings (Haematoxylin and eosin and Fontana-Masson) whereas sparse melanin granules were observed in hair follicles of vitiligo group. In exptl. groups, there was an increase in the number of hair follicles with melanin compared with vitiligo group. We observed MART-1 immunoreactive cells mostly around the hair follicles in control group and within dermis in vitiligo group. Electron microscopic investigation showed presence of melanosomes in hair follicles of control group and lacking in vitiligo group. In exptl. groups, both type of hair follicles were observed with electron microscope. Our data suggest that autologously transplanted dermis-derived cells may be effective in vitiligo treatment by contrubuting to melanin production This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Synthetic Route of C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) 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. 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 C13H12O2

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

The promising novel biomarkers and candidate small molecule drugs in lower-grade glioma: Evidence from bioinformatics analysis of high-throughput data was written by Zhang, Bo;Wu, Qiong;Xu, Ran;Hu, Xinyi;Sun, Yidan;Wang, Qiuhong;Ju, Fei;Ren, Shiqi;Zhang, Chenlin;Qi, Fuwei;Ma, Qianqian;Wang, Ziheng;Zhou, You Lang. And the article was included in Journal of Cellular Biochemistry in 2019.SDS of cas: 103-16-2 The following contents are mentioned in the article:

Overall survival of patients with low-grade glioma (LGG) has shown no significant improvement over the past 30 years, with survival averaging approx. 7 years. This study aimed to identify novel promising biomarkers of LGG and reveal its potential mol. mechanisms by integrated bioinformatics anal. The microarray datasets of GSE68848 and GSE4290 were selected from GEO database for integrated anal. In total, 293 overlapping differentially expressed genes (DEGs) were detected using the limma package. One hundred and eighty-eight nodes with 603 interactions were obtained from the establishment of protein-protein interaction (PPI) network. Functional and signaling pathway enriched were significantly correlated with the synapse and calcium signaling pathway, resp. Module anal. revealed eight hub genes with high connectivity, which included CHRM1, DLG2, GABRD, GRIN1, HTR2A, KCNJ3, KCNJ9, and NUSAP1, and they were markedly correlated with patients′ prognosis. The mining of the Gene Expression Profiling Interactive Anal. database and qPCR further confirmed the abnormal expression of these key genes with their prognostic value in LGG. We eventually predicted the 20 most vital small mol. drugs, which potentially reverse the carcinogenic state of LGG, as per the CMap (connectivity map) database and these DEGs, and MS-275 (enrichment score = -0.939) was considered as the most promising small mol. to treat LGG. In conclusion, our study provided eight reliable novel mol. biomarkers for diagnosis, prognosis prediction, and treatment targets for LGG. These conclusions will contribute to a better comprehension of mol. mechanisms fundamental to LGG occurrence and progression, and providing new insights for future development of genomic individualized treatment in LGG. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2SDS of cas: 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) 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. 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.SDS of cas: 103-16-2

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

Antagonists for Constitutively Active Mutant Estrogen Receptors: Insights into the Roles of Antiestrogen-Core and Side-Chain was written by Sharma, Abhishek;Toy, Weiyi;Guillen, Valeria Sanabria;Sharma, Naina;Min, Jian;Carlson, Kathryn E.;Mayne, Christopher G.;Lin, Shengjia;Sabio, Michael;Greene, Geoffrey;Katzenellenbogen, Benita S.;Chandarlapaty, Sarat;Katzenellenbogen, John A.. And the article was included in ACS Chemical Biology in 2018.Reference of 103-16-2 The following contents are mentioned in the article:

A major risk for patients having estrogen receptor α (ERα)-pos. breast cancer is the recurrence of drug-resistant metastases after initial successful treatment with endocrine therapies. Recent studies have implicated a number of activating mutations in the ligand-binding domain of ERα that stabilize the agonist conformation as a prominent mechanism for this acquired resistance. There are several critical gaps in our knowledge regarding the specific pharmacophore requirements of an antagonist that could effectively inhibit all or most of the different mutant ERs. To address this, we screened various chemotypes for blocking mutant ER-mediated transcriptional signaling and identified RU58668 as a model compound that contains structural elements that support potent ligand-induced inhibition of mutant ERs. We designed and synthesized a focused library of novel antagonists and probed how small and large perturbations in different ligand structural regions influenced inhibitory activity on individual mutant ERs in breast cancer cells. Effective inhibition derives from both nonpolar and moderately polar motifs in a multifunctional side chain of the antagonists, with the nature of the ligand core making important contributions by increasing the potency of ligands possessing similar types of side chains. Some of our new antagonists potently blocked the transcriptional activity of the three most common mutant ERs (L536R, Y537S, D538G) and inhibited mutant ER-mediated cell proliferation. Supported by our mol. modeling, these studies provide new insights into the role of specific components, involving both the ligand core and multifunctional side chain, in suppressing wild-type and mutant ER-mediated transcription and breast cancer cell proliferation. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Reference of 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) 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. 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.Reference of 103-16-2

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

Equilibrium Solubility Determination and Correlation of Monobenzone in Fifteen Monosolvents at a Series of Temperatures was written by Li, Rongrong;Wang, Wei;Chen, Xianlang;Chen, Hong;Bao, Huanhuan;Zhu, Yuwei;Zhao, Jia;Han, Deman. And the article was included in Journal of Chemical & Engineering Data in 2020.Safety of 4-Benzyloxyphenol The following contents are mentioned in the article:

This study reports the equilibrium solubility for monobenzone in methanol, ethanol, n-propanol, isopropanol, n-butanol, acetonitrile, Et acetate, acetone, 1,4-dioxane, cyclohexane, N,N-dimethylformamide (DMF), N-methyl-2-pyrrolidinone (NMP), n-hexane, n-octanol, and water that was determined by the isothermal method between 283.15 and 313.15 K under p = 101.1 kPa. The maximum value of monobenzone solubility was 0.6316 in mole fraction at 313.15 K dissolved in Et acetate, but the least data was achieved in water. The solubility of monobenzone increased with the rising temperature and the order followed in the 15 pure solvents was Et acetate (0.6316, 313.15 K) > 1,4-dioxane (0.4350, 313.15 K) > methanol (0.1356, 313.15 K) > acetonitrile (0.1247, 313.15 K) > (ethanol, isopropanol) > n-propanol (0.09942, 313.15 K) > n-butanol (0.08346, 313.15 K) > n-octanol (0.03546, 313.15 K) > cyclohexane (8.020×10^-3, 313.15 K) > n-hexane (3.133 x 10^-3, 313.15 K) > NMP (2.372 x 10^-4, 313.15 K) > DMF (1.145 x 10^-4, 313.15 K) > acetone (4.032 x 10^-5, 313.15 K) > water (3.019 x 10^-5, 313.15 K). There was no existence of processes such as solvation or polymorphic transformation during the entire experiment Several models covering the modified Apelblat, λh, Wilson, and non-random two-liquid models were applied to correlate and calculate monobenzone solubility data in fifteen monosolvents. Results showed that the modified Apelblat equation provided the best results with the exptl. ones. The largest relative average deviation and root-mean-square deviation were no more than ² and 1.81 x 10^-3, resp. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Safety of 4-Benzyloxyphenol).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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 4-Benzyloxyphenol

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

Equilibrium Solubility Determination and Correlation of Monobenzone in Fifteen Monosolvents at a Series of Temperatures was written by Li, Rongrong;Wang, Wei;Chen, Xianlang;Chen, Hong;Bao, Huanhuan;Zhu, Yuwei;Zhao, Jia;Han, Deman. And the article was included in Journal of Chemical & Engineering Data in 2020.Reference of 103-16-2 The following contents are mentioned in the article:

This study reports the equilibrium solubility for monobenzone in methanol, ethanol, n-propanol, isopropanol, n-butanol, acetonitrile, Et acetate, acetone, 1,4-dioxane, cyclohexane, N,N-dimethylformamide (DMF), N-methyl-2-pyrrolidinone (NMP), n-hexane, n-octanol, and water that was determined by the isothermal method between 283.15 and 313.15 K under p = 101.1 kPa. The maximum value of monobenzone solubility was 0.6316 in mole fraction at 313.15 K dissolved in Et acetate, but the least data was achieved in water. The solubility of monobenzone increased with the rising temperature and the order followed in the 15 pure solvents was Et acetate (0.6316, 313.15 K) > 1,4-dioxane (0.4350, 313.15 K) > methanol (0.1356, 313.15 K) > acetonitrile (0.1247, 313.15 K) > (ethanol, isopropanol) > n-propanol (0.09942, 313.15 K) > n-butanol (0.08346, 313.15 K) > n-octanol (0.03546, 313.15 K) > cyclohexane (8.020×10^-3, 313.15 K) > n-hexane (3.133 x 10^-3, 313.15 K) > NMP (2.372 x 10^-4, 313.15 K) > DMF (1.145 x 10^-4, 313.15 K) > acetone (4.032 x 10^-5, 313.15 K) > water (3.019 x 10^-5, 313.15 K). There was no existence of processes such as solvation or polymorphic transformation during the entire experiment Several models covering the modified Apelblat, λh, Wilson, and non-random two-liquid models were applied to correlate and calculate monobenzone solubility data in fifteen monosolvents. Results showed that the modified Apelblat equation provided the best results with the exptl. ones. The largest relative average deviation and root-mean-square deviation were no more than ² and 1.81 x 10^-3, resp. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Reference of 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) 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. 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.Reference of 103-16-2

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