Category: 111-87-5

Wu, Shuang published the artcileHenry’s Law Constants and Indoor Partitioning of Microbial Volatile Organic Compounds, SDS of cas: 111-87-5, the main research area is Henry law indoor microbial volatile organic compound partitioning modeling; Henry’s law constant; chemical exposure; chemical partitioning; equilibrium partitioning; indoor air quality; indoor environment; microbial volatile organic compounds.

Microbial volatile organic compounds (MVOCs) play an essential role in many environmental fields, such as indoor air quality. Long-term exposure to odorous and toxic MVOCs can neg. affect the health of occupants. Recently, the involvement of surface reservoirs in indoor chem. has been realized, which signifies the importance of the phase partitioning of volatile organic pollutants. However, reliable partition coefficients of many MVOCs are currently lacking. Equilibrium partition coefficients, such as Henry’s law constant, H, are crucial for understanding the environmental behavior of chems. This study aims to exptl. determine the H values and their temperature dependence for key MVOCs under temperature relevant to the indoor environment. The H values were determined with the inert gas-stripping (IGS) method and variable phase ratio headspace (VPR-HS) technique. A two-dimensional partitioning model was applied to predict the indoor phase distribution of MVOCs and potential exposure pathways to the residences. The findings show that the MVOCs are likely distributed between the gas and weakly polar (e.g., organic-rich) reservoirs indoors. Temperature and the volume of reservoirs can sensitively affect indoor partitioning. Our results give a more comprehensive view of indoor chem. partitioning and exposure.

Environmental Science & Technology published new progress about Henry’s law. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, SDS of cas: 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Sa’adiyah, Devy Setiorini published the artcileSpatial Evolution of CO2-Contaminated Water Bubble Flows in a Vertical Pipe, COA of Formula: C8H18O, the main research area is carbon dioxide contaminated water bubble flow vertical pipe.

Experiments on CO2-water bubble flows in a vertical pipe were carried out for clean water, an aqueous NaCl solution, and an aqueous NaCl solution with 1-octanol to obtain databases of spatial evolutions of the flows with the impurities. Mass transfer correlations for bubbles in these liquids were implemented into a one-way bubble tracking method. Numerical predictions of the spatial evolution, e.g., transition from a bubbly to a slug flow, depending on the impurities agreed well with the experiments

Chemie Ingenieur Technik published new progress about Bubble flow. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, COA of Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Andrade, Brenda published the artcileNonionic Surfactant Properties of Amphiphilic Hyperbranched Polyglycerols, Category: alcohols-buliding-blocks, the main research area is nonionic surfactant amphiphilic hyperbranched polyglycerol.

The surfactant properties of amphiphilic hyperbranched polyglycerols (HPGs) were investigated. The HPGs were prepared by ring-opening multibranching polymerization of glycidol using hydrophobic initiators of varying size and structure. The cloud points for all HPG surfactants were found to be >80 °C in deionized water with >1 wt % NaCl. The HPG surfactants with hydrophilic-lipophilic balance values between 16 and 18 were found to form stable octanol/water (o/w) emulsions within a 24 h period. Several surface properties, including critical micelle concentration (CMC), efficiency of surface tension reduction (pC20), effectiveness of surface tension reduction (γCMC), surface excess concentration at the CMC (Γmax), min. area/mol. at the interface (Amin), and the CMC/C20 ratio of the HPG surfactants were measured in deionized water at 22.6 °C. In general, increasing HPG size was marked by an increase in min. surface area per mol. (Amin) at the aqueous liquid/air interface. This increase in size also led to lower CMC and greater pC20 values of HPG surfactants prepared with Tergitol 15-S-7 initiator (HPG 5a-5d), a com. available ethylene glycol oligomer with a branched hydrophobic tail.

Langmuir published new progress about Cloud point. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Sibirtsev, Stephan published the artcileAutomation of a Procedure for the Experimental Investigation of Liquid-Liquid Phase Separation, Formula: C8H18O, the main research area is octanol water liquid phase separation automation process.

Optimal design of a liquid-liquid settler requires exptl. investigation on phase separation behavior of the used material system under the same operating conditions as in the tech. application. Performing these experiments and evaluating the obtained data is highly time-consuming. To reduce manual effort, the procedure was largely automated. In this work, the exptl. setup, the automated procedure, and its validation results at various operating temperatures are presented. The results show the suitability of the automated procedure and the influence of temperature on phase separation behavior of the liquid-liquid system 1-octanol/water.

Chemie Ingenieur Technik published new progress about Coalescence. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Arslan, Evrim published the artcileA blind SAMPL6 challenge: insight into the octanol-water partition coefficients of drug-like molecules via a DFT approach, Computed Properties of 111-87-5, the main research area is Computer-aided drug design; DFT; Octanol/water partition coefficient; SAMPL6; Solvation free energies.

Abstract: In this study quantum mech. methods were used to predict the solvation energies of a series of drug-like mols. both in water and in octanol, in the context of the SAMPL6 n-octanol/water partition coefficient challenge. In pharmaceutical design, n-octanol/water partition coefficient, LogP, describes the drug′s hydrophobicity and membrane permeability, thus, a well-established theor. method that rapidly determines the hydrophobicity of a drug, enables the progress of the drug design. In this study, the solvation free energies were obtained via six different methodologies (B3LYP, M06-2X and ωB97XD functionals with 6-311+G** and 6-31G* basis sets) by taking into account the environment implicitly; the methodol. chosen (B3LYP/6-311+G**) was used later to evaluate ΔGsolv by using explicit water as solvent. We optimized each conformer in different solvents sep., our calculations have shown that the stability of the conformers is highly dependent on the solvent environment. We have compared implicitly and explicitly solvated systems, the interaction of one explicit water with drug-mols. at the proper location leads to the prediction of more accurate LogP values.

Journal of Computer-Aided Molecular Design published new progress about Computer-aided drug design; DFT; Octanol/water partition coefficient; SAMPL6; Solvation free energies. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Computed Properties of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhou, Qiongyang published the artcileExperimental investigation into the oxidation reactivity, morphology and graphitization of soot particles from diesel/n-octanol mixtures., Name: n-Octanol, the main research area is Diesel exhaust particles; Graphitization; Morphology; Oxidation reactivity; n-Octanol.

Aiming to investigate the impacts of n-octanol addition on the oxidation reactivity, morphology and graphitization of diesel exhaust particles, soot samples were collected from a four-cylinder turbocharged diesel engine fueled with D100 (neat diesel fuel), DO15 (85% diesel and 15% n-octanol, V/V) and DO30 (70% diesel and 30% n-octanol, V/V). All tests were conducted at two engine speeds of 1370 and 2150 r/min under a fixed torque of 125 N·m. The soot properties were characterized by thermogravimetric analyzer (TGA), transmission electron microscopy (TEM) and Raman spectroscopy (RS). The higher volatile organic fraction content, lower soot oxidation temperatures and lower activation energy from TGA results indicated that both the increasing n-octanol concentration and engine speed enhanced the soot oxidation reactivity. Additionally, quantitative analysis of TEM images showed that the soot derived from DO30 had the smallest primary particle diameters and fractal dimension, followed by those of soot produced by DO15 and D100. The RS results demonstrated that the n-octanol addition and higher engine speed led to a larger D1-FWHM (D1-full width at half maximum), AD1/AT (area ratio of D1 band and the total spectral) and AD3/AT (area ratio of D3 band and the total spectral) as well as a smaller La (crystallite width), revealing a lower degree of graphitization. Furthermore, the correlations between characterization parameters of soot properties and reactivity were nonlinear.

Journal of environmental sciences (China) published new progress about Diesel exhaust particles; Graphitization; Morphology; Oxidation reactivity; n-Octanol. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Name: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Barthel, Cedric published the artcileAn easy-to-use and general nuclear magnetic resonance method for the determination of partition coefficients of drugs and natural products, Formula: C8H18O, the main research area is ERETIC 2; Kow; NMR; log P; partition coefficient; pharmacokinetics; solubilization.

The lipophilicity of a drug is an important parameter for its eventual development by the pharmaceutical industry. It is usually measured by HPLC following partition of the compound between water and 1-octanol. We present here an alternative, simple, sensitive and quant. 1H NMR (NMR) method for the exptl. measurement of partition coefficients of natural compounds and pharmaceutical drugs. It is based on measuring concentrations in the water phase, before and after partitioning and equilibration between water and octanol, using the ERETIC (Electronic Reference To Access In Vivo Concentration) technique. The signal to noise ratio is improved by a Water Suppression by Excitation Sculpting sequence. Quantification is based on an electronic reference signal and does not need addition of a reference compound The log P values of 22 natural metabolites and four pharmaceutical drugs were determined and the exptl. results are in excellent agreement with literature data. The experiments were run on ∼2 mg material. This technique proved to be robust, reproducible and suitable for log P values between -2 and +2.

Magnetic Resonance in Chemistry published new progress about ERETIC 2; Kow; NMR; log P; partition coefficient; pharmacokinetics; solubilization. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Ciura, Krzesimir published the artcileAffinity of antifungal isoxazolo[3,4-b]pyridine-3(1H)-ones to phospholipids in immobilized artificial membrane (IAM) chromatography, Quality Control of 111-87-5, the main research area is IAM-HPLC; immobilized artificial membrane; isoxazolo[3,4-b]pyridin-3(1H)-one; isoxazolone.

Currently, rapid evaluation of the physicochem. parameters of drug candidates, such as lipophilicity, is in high demand owing to it enabling the approximation of the processes of absorption, distribution, metabolism, and elimination. Although the lipophilicity of drug candidates is determined using the shake flash method (n-octanol/water system) or reversed phase liquid chromatog. (RP-LC), more biosimilar alternatives to classical lipophilicity measurement are currently available. One of the alternatives is immobilized artificial membrane (IAM) chromatog. The present study is a continuation of our research focused on physiochem. characterization of biol. active derivatives of isoxazolo[3,4-b]pyridine-3(1H)-ones. The main goal of this study was to assess the affinity of isoxazolones to phospholipids using IAM chromatog. and compare it with the lipophilicity parameters established by reversed phase chromatog. Quant. structure-retention relationship (QSRR) modeling of IAM retention using differential evolution coupled with partial least squares (DE-PLS) regression was performed. The results indicate that in the studied group of structurally related isoxazolone derivatives, discrepancies occur between the retention under IAM and RP-LC conditions. Although some correlation between these two chromatog. methods can be found, lipophilicity does not fully explain the affinities of the investigated mols. to phospholipids. QSRR anal. also shows common factors that contribute to retention under IAM and RP-LC conditions. In this context, the significant influences of WHIM and GETAWAY descriptors in all the obtained models should be highlighted.

Molecules published new progress about IAM-HPLC; immobilized artificial membrane; isoxazolo[3,4-b]pyridin-3(1H)-one; isoxazolone. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Quality Control of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Oshizaka, Takeshi published the artcileEffects of Physicochemical Properties of Constituent Ions of Ionic Liquid on Its Permeation through a Silicone Membrane., Product Details of C8H18O, the main research area is ionic liquid; n-octanol/water partition coefficient; permeability coefficient; silicone membrane.

Ionic liquids (ILs), defined as liquid salts composed of anions and cations, have the advantage of allowing constituent ions to be stably absorbed through biological membranes, such as skin. However, limited information is currently available on the effects of the physicochemical properties of constituent ions on the membrane permeation of ILs. Therefore, we herein investigated the effects of the polarity of constituent cations on the membrane permeation of each constituent ion from IL. Various ILs were prepared by selecting lidocaine (LID) as a cation and a series of p-alkylbenzoic acids with different n-octanol/water partition coefficients (Ko/w) as anions. These ILs were applied to a skin model, a silicone membrane, and membrane permeability was investigated. The membrane permeabilities of p-alkylbenzoic acids from their single aqueous suspensions were also measured for comparison. The membrane permeability of p-alkylbenzoic acid from the aqueous suspension increased at higher Ko/w. However, the membrane permeability of ILs was similar regardless of the Ko/w of the constituent p-alkylbenzoic acid. Furthermore, the membrane permeability of the counterion LID remained unchanged regardless of the constituent p-alkylbenzoic acid. These results suggest that even when the Ko/w of IL constituents markedly differs, the resulting IL does not affect membrane permeability.

Chemical & pharmaceutical bulletin published new progress about ionic liquid; n-octanol/water partition coefficient; permeability coefficient; silicone membrane. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Product Details of C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Ali, Abbas published the artcileToxicity and Repellency of Magnolia grandiflora Seed Essential Oil and Selected Pure Compounds Against the Workers of Hybrid Imported Fire Ants (Hymenoptera: Formicidae)., HPLC of Formula: 111-87-5, the main research area is Magnolia seed essential oil; fire ant worker; repellency; toxicity.

We tested Magnolia grandiflora L. (Magnoliales: Magnoliaceae) seed essential oil and its pure compounds for their repellency and toxicity against workers of hybrid imported fire ants. Series of dosages were tested starting from 156 µg/g to the dose where the treatment failed. Workers removed significantly less sand from the vials with M. grandiflora seed essential oil and 1-octanol treated sand at serial dosages of 156-4.9 µg/g than the solvent control whereas the amount removed at 2.4-0.6 µg/g was similar to the solvent control. In 1-decanol treatments, workers removed significantly less sand at serial dosages of 156-0.15 µg/g than the solvent control whereas the removal of sand at the dose of 0.08 µg/g was similar to the solvent control. In DEET (N, N-diethyl-meta-toluamide) treatments, workers removed significantly less sand at serial dosages of 156-78 µg/g than the solvent control whereas the quantity of removed sand at 39 µg/g was similar to the solvent control. Based on the mean amount of sand removed, M. grandiflora essential oil, 1-decanol, and 1-octanol showed significantly higher repellency than DEET. 1-Decanol and 1-octanol, present in seed essential oil showed toxicity against fire ant workers. 1-Decanol with LC50 of 140.6 µg/g was the most toxic natural compound followed by 1-octanol (LC50 = 486.8 µg/g). Bifenthrin with LC50 value of 0.018 µg/g showed much higher toxicity than these natural compounds. High repellency and toxicity of 1-decanol makes it a natural compound of interest for further studies under field conditions.

Journal of economic entomology published new progress about Magnolia seed essential oil; fire ant worker; repellency; toxicity. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, HPLC of Formula: 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts