Category: 111-87-5

Chen, Deliang published the artcileThermodynamics-based model construction for the accurate prediction of molecular properties from partition coefficients, Safety of n-Octanol, the main research area is computational chem linear free energy relationship mol properties; noncovalent interaction partition coefficient quant structure properties; computational chemistry; linear free energy relationships; molecular properties; noncovalent interactions; partition coefficient; quantitative structure-property relationships.

Developing models for predicting mol. properties of organic compounds is imperative for drug development and environmental safety; however, development of such models that have high predictive power and are independent of the compounds used is challenging. To overcome the challenges, we used a thermodn.-based theor. derivation to construct models for accurately predicting mol. properties. The free energy change that determines a property equals the sum of the free energy changes (ΔGFs) caused by the factors affecting the property. By developing or selecting mol. descriptors that are directly proportional to ΔGFs, we built a general linear free energy relationship (LFER) for predicting the property with the mol. descriptors as predictive variables. The LFER can be used to construct models for predicting various specific properties from partition coefficients Validations show that the models constructed according to the LFER have high predictive power and their performance is independent of the compounds used, including the models for the properties having little correlation with partition coefficients The findings in this study are highly useful for applications in drug development and environmental safety.

Frontiers in Chemistry (Lausanne, Switzerland) published new progress about Drug discovery. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Safety of n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Horne, Gregory P. published the artcileDoes addition of 1-octanol as a phase modifier provide radical scavenging radioprotection for N,N,N’,N’-tetraoctyldiglycolamide (TODGA)?, Application of n-Octanol, the main research area is octanol phase modifier radical scavenging radioprotection TODGA fuel reprocessing.

To mitigate third phase formation in next generation used nuclear fuel reprocessing technologies, the addition of 1-octanol has been trialed. However, contradictory reports on the radiolytic effect of 1-octanol incorporation on separation ligand degradation need to be resolved. Here, 50 mM N,N,N’,N’-tetraoctyldiglycolamide (TODGA) dissolved in n-dodecane was gamma irradiated in the presence and absence of 1-octanol (2.5-10 vol%) and a 3.0 M HNO3 aqueous phase. Radiation-induced TODGA degradation exhibited pseudo-first-order decay kinetics as a function of absorbed gamma dose for all investigated solution and solvent system formulations. The addition of 1-octanol afforded diametrically different effects on the rate of TODGA degradation depending on solvent system formulation. For organic-only irradiations, 1-octanol promoted TODGA degradation (d = 0.0057 kGy-1 for zero 1-octanol present vs. ∼0.0073 kGy-1 for 7.5-10 vol%) attributed to a favorable hydrogen atom abstraction reaction free energy (-0.31 eV) and the ability of 1-octanol to access a higher yield of n-dodecane radical cation (RH+̇) at sub-nanosecond timescales. This was rationalized by determination of the rate coefficient (k) for the reaction of 1-octanol with RH+̇, k = (1.23 ± 0.07) x 1010 M-1 s-1. In contrast, irradiation in the presence of 1-octanol and a 3.0 M HNO3 aqueous phase afforded significant radioprotection (d = 0.0054 kGy-1 for zero 1-octanol present vs. ≤ 0.0044 kGy-1 for >2.5 vol%) that increases with 1-octanol concentration, relative to the single phase, organic-only solutions This effect was attributed to the extraction of sufficiently high concentrations of HNO3 and H2O into the organic phase by TODGA and 1-octanol as adducts which interfere with the hydrogen atom abstraction process between the 1-octanol radical and TODGA. The findings suggest that the addition of 1-octanol as a phase modifier will enhance the radiation robustness of TODGA-based separation technologies under envisioned solvent system conditions in the presence of aqueous HNO3.

Physical Chemistry Chemical Physics published new progress about Electron beams. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Application of n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Toth, Andreas published the artcileReactive Distillation for Solvent Regeneration after Biphasic Carboxylic Acid Esterification, Name: n-Octanol, the main research area is carboxylic acid esterification solvent regeneration reactive distillation.

Emulsion-enhanced biphasic esterification has proven to be applicable for carboxylic acid recovery from dilute aqueous process streams. The carboxylic acid is esterified with 1-octanol in an emulsified regime with 4-dodecylbenzenesulfonic acid (4-DBSA) or Ni(DBSA)2 as catalyst. After phase separation, the laden solvent phase must be regenerated. This study presents a regeneration concept based on reactive distillation with transesterification of the octyl ester-laden solvent with methanol. The regenerated solvent is reused in the extraction step.

Chemie Ingenieur Technik published new progress about Esterification. 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

Anzano, Jesus M. published the artcileChemistry practices for undergraduate students: plastic polymers characterization by gas chromatography, Safety of n-Octanol, the main research area is polymer plastic property gas chromatog.

The present study deals with the chem.-anal. characterization of plastics, specifically anal. determination of phthalates in polyvinyl chloride (PVC) and the quantification of residual styrene (S) monomer in plastic polystyrene (PS); both polymers are commonly used in food packaging. In determining phthalates, the method’s principle used, is the precipitation of the PVC polymer followed by hydrolysis of the plasticizers and the leaching of the alc. obtained in an organic phase. To study the efficiency of the reaction, dioctyl phthalate (DOP) has been used as a standard In determining S, the method used, is based on the total sample-plastic dissolution followed by the precipitation of the PS leaving behind the monomer. It does not include dilution methods. In both tests, the quant. determination is made by gas chromatog. (GC).

Journal of Laboratory Chemical Education published new progress about Food packaging. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Safety of n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

El-Seesy, Ahmed I. published the artcileImpacts of octanol and decanol addition on the solubility of methanol/hydrous methanol/diesel/biodiesel/Jet A-1 fuel ternary mixtures, COA of Formula: C8H18O, the main research area is octanol decanol hydrous methanol diesel biodiesel jetA1 fuel solubility.

This study attempts to enhance the mixture instability of methanol/hydrous methanol mixed with diesel fuel, waste cooking oil (WCO) biodiesel, and Jet A-1 fuel using n-octanol and n-decanol as cosolvent at numerous temperatures of 10°C, 20°C, and 30°C. The experiment is divided into two stages: first, blending pure methanol with diesel oil, Jet A-1, and WCO biodiesel individually utilizing n-octanol and n-decanol as cosolvent at various temperatures Second, combining hydrous methanol (90% methanol + 10 wt% water) with diesel oil, Jet A-1, and WCO biodiesel independently and applying n-octanol and n-decanol as cosolvent at different temperatures Pure methanol or hydrous methanol is mixed with the base fuels at different mixing proportions varying from 0 to 100 vol% with 10 vol% increments. The co-solvent, mainly n-octanol and n-decanol (titrant), is progressively and sep. inserted into the tube with continuous shaking by utilizing a high-precision pipet until the ternary mixtures’ phase borders seem. The findings demonstrate phase separation in pure methanol-diesel and pure methanol-Jet A-1 combinations even when the blend temperature increased to 60°C. The pure methanol/biodiesel combination proves complete solubility without adding an external agent. The results also illustrate that the ambient temperature considerably affects the stability of mixture and amount of cosolvent in the blend. n-Octanol and n-decanol showed promising performance in enhancing the phase stability issue of methanol and hydrous methanol with the base fuels. It can be deduced that the min. amount of cosolvent is recorded for biodiesel-hydrous methanol, Jet A-1-hydrous methanol, and diesel-hydrous methanol, resp.

RSC Advances published new progress about Biodiesel fuel. 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

Hosseiny Davarani, Saied Saeed published the artcileQuantification of controlled release leuprolide and triptorelin in rabbit plasma using electromembrane extraction coupled with HPLC-UV, Formula: C8H18O, the main research area is HPLC UV plasma determination controlled release leuprolide triptorelin pharmacokinetics; electromembrane extraction HPLC controlled release leuprolide triptorelin; Electromembrane extraction; Leuprolide; Pharmacokinetic; Rabbit plasma; Triptorelin.

An electromembrane extraction followed by HPLC-UV technique was developed and validated for quantification of leuprolide and triptorelin in rabbit plasma. The influencing parameters on the extraction efficiency were optimized using exptl. design methodol. The optimized conditions were found to be; supported liquid membrane: a mixture of 1-octanol and 2-Et hexanol (1:1) containing 10% volume/volume di(2-ethylhexyl) phosphate, applied voltage: 5 V, extraction time: 5 min, pH of the donor phase: 4.5 and pH of the acceptor phase: 1.0. The optimized method was validated for linearity, intraday and interday precision, and accuracy in rabbit plasma. The range of quantification for both peptides was 0.5-1000 ng/mL with regression coefficients higher than 0.994. Relative recoveries of leuprolide and triptorelin were found to be 80.3 and 75.5%, resp. Limits of quantification and detection for both peptides were found to be 0.5 and 0.15 ng/mL, resp. The validated method was successfully applied to pharmacokinetic study of the 1-mo depot formulations of each peptide after s.c. administration to rabbits.

Electrophoresis published new progress about Blood analysis. 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

Fashi, Armin published the artcileAn analytical strategy based on the combination of ultrasound assisted flat membrane liquid phase microextraction and a smartphone reader for trace determination of malondialdehyde, Name: n-Octanol, the main research area is ultrasound assisted flat membrane liquid phase microextraction malondialdehyde; Biological samples; Derivatization; Membrane extraction; Preconcentration; RGB analysis; Sugaring out.

A new cleanup process entitled ultrasonic assisted flat membrane liquid phase microextraction (UA-FM-LPME) was introduced. The UA-FM-LPME procedure in two phase format was applied for the extraction-preconcentration of malondialdehyde (MDA) as an analyte model from the biol. samples after a derivatization reaction. In the designed extraction setup, the simultaneous use of two flat sheet membranes and the application of ultrasonic radiation provided the efficient mass transfer of MDA into the acceptor phase in a short extraction time (2 min). The collected organic phase was then analyzed through Red-Green-Blue (RGB) image anal. and HPLC coupled with UV-visible spectroscopy (HPLC-UV/visible) as detection methods. The key parameters affecting the extraction process were studied and optimized. The effect of the sugaring out on the partition of MDA into the extraction phase was examined for the first time. Under optimal conditions, linearity was observed in the concentration range of 8-1000 ng mL-1 for HPLC, and 10-1000 ng mL-1 for RGB anal., with the coefficient of determination (R2) values >0.9973. The introduced method also offered satisfactory relative standard deviations (RSDs) <4.0%. In order to examine the reliability of the technique in complicated matrixes, three different biol. samples (urine, saliva and blood plasma) were analyzed and the acceptable results in terms of relative recoveries (89.7-102.4%) were obtained. The designed setup in combination with RGB anal. will provide a low-cost alternative technique for rapid determination of MDA in clin. diagnosis or biochem. anal. without the need to complex, time consuming and expensive anal. instruments. Talanta published new progress about Blood analysis. 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

Yuvali, Donay published the artcileAn environment-friendly and rapid liquid-liquid microextraction based on new synthesized hydrophobic deep eutectic solvent for separation and preconcentration of erythrosine (E127) in biological and pharmaceutical samples, Product Details of C8H18O, the main research area is liquid microextraction hydrophobic deep eutectic solvent erythrosine; Blood; Deep eutectic solvent; Erythrosine; Liquid-liquid microextraction; Pharmaceutical samples; Urine.

A new deep eutectic solvent (DES) consist of tetrabuthylammonium bromide (TBABr) and 1-octanol at 1:2 M ratio was prepared for the first time and characterized by FTIR spectroscopy (FTIR), proton NMR (1H NMR) and carbon NMR (13C NMR) techniques. The new DES was used as an extraction solvent in the ultrasound assisted liquid-liquid microextraction (UA-LLME) of Erythrosine (E127) in blood, urine, pharmaceutical tablet and syrup samples. Accurate and sensitive determination of erythrosine was accomplished with the combination use of DES-UA-LLME and UV-visible spectrophotometric detection. Before applying UA-LLME, while protein precipitation was applied to blood samples, pharmaceutical tablets were homogenized and dissolved in methanol. The proposed DES-UA-LLME/UV-visible procedure was applied directly to urine, syrup sample and supernatant of blood and tablet samples with high recoveries in range of 90% and 100%. Erythrosine in the aqueous sample phase was extracted into 200μL hydrophobic DES phase at pH 7.0. The effect of important anal. variables such as pH of sample solution, mol ratio of DES components, volume of DES, ultrasonic-based extraction time, sample volume and salt effect were optimized. The preconcentration factor (PF), limit of detection (LOD), intra-day and inter-day relative standard deviations (relative standard deviation, %) for the developed procedure were found as 40, 3.75μg·L-1, 2.6% and 4.6%, resp.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Blood analysis. 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

Parvin Shahdousti published the artcileSimultaneous Determination of Lamotrigine and Carbamazepine in Plasma Using Ultrasound-Assisted Emulsification Microextraction-High Performance Liquid Chromatography, Synthetic Route of 111-87-5, the main research area is lamotrigine carbamazepine ultrasound assisted emulsification microextraction HPLC.

A simple, fast and efficient method based on ultrasound-assisted emulsification microextraction (USAEME) followed by HPLC has been developed for simultaneous determination of Carbamazepine (CBZ) and Lamotrigine (LTG) in biol. samples. The influence of different parameters affecting the USAEME procedure was evaluated to optimize the efficiency of the process. At these conditions, validation of the proposed method was performed based on European medicines agency guidelines. The proposed method showed good linearity in plasma samples ranging from 0.25 to 6μg/mL and 0.13 to 6μg/mL (R2 ≥ 0.99) for CBZ and LTG, resp. The precision of the proposed method was evaluated for repeatability which was ≤12% (n = 5). The detection limits of 0.06 and 0.05μg/mL were obtained for CBZ and LTG, resp. The proposed method can be applied as an effective technique for therapeutic drug monitoring of CBZ and LTG in plasma of epileptic patients.

Journal of Analytical Chemistry published new progress about Blood analysis. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Synthetic Route of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhang, Huiying published the artcileMultivariate relationships among sensory attributes and volatile components in commercial dry porcini mushrooms (Boletus edulis), Quality Control of 111-87-5, the main research area is porcini mushroom sensory characterization multivariate analysis; Aroma characteristic; Dry porcini mushroom; Hedonic rating; Multivariate analysis; Relative odor activity value; Volatile compound.

The present research investigated the relationships among sensory attributes and volatile components in dry porcini mushrooms by multivariate statistical analyses. The sensory characteristics were based on quant. descriptive anal. and consumer hedonic assessment. The volatile compounds were extracted by solid-phase microextraction, then were identified using gas chromatog.-mass spectrometry and gas chromatog.-olfactometry. The results showed that the high hedonic rating of porcini mushrooms was due in part to its aroma notes such as seasoning-like, roasted, cacao-like and smoky. High hedonic liking and pos. aromas of porcini mushrooms could be responsible for the volatiles including 3-(methylthio)propanal, 3-(methylthio)propanol, pyrazines, phenolic and furanone components. On the other hand, raw mushroom-like, cardboard-like, as well as sweaty attributes were attributed to the relatively low hedonic liking of porcini mushrooms, which correlated with high contents of 1-octen-3-ol, octanal, 2-pentylfuran and 3-methylbutanoic acid. The information reported here could be important for the quality control of com. porcini mushrooms by providing an approach to strengthen the interpretation of sensory data by showing how they were affected by the chem. properties.

Food Research International published new progress about Boletus edulis. 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