Category: 42822-86-6

Limpanuparb, Taweetham published the artcileAn in silico investigation of menthol metabolism, Related Products of alcohols-buliding-blocks, the main research area is menthol metabolism signaling glucuronic acid.

Prevalence of mentholated products for consumption has brought great importance to studies on menthol’s metabolic pathways to ensure safety, design more potent derivatives, and identify therapeutic benefits. Proposed pathways of (-)-menthol metabolism based on metabolites found exptl. in previous works by Yamaguchi, Caldwell & Farmer, Madyastha & Srivatsan and Hiki et al. were not in agreement. This in silico approach is based on the three in vivo studies and aims to resolve the discrepancies. Reactions in the pathways are conjugation with glucuronic acid/sulfate, oxidation to alc., aldehyde & carboxylic acid, and formation of a four-membered/five-membered ring. Gas-phase structures, standard Gibbs energies and SMD solvation energies at B3LYP/6-311++G(d,p) level were obtained for 102 compounds in the pathways. This study provides a more complete picture of menthol metabolism by combining information from three exptl. studies and filling missing links in previously published pathways.

PLoS One published new progress about Free energy. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Cheng, Haiyang published the artcileCyclization of citronellal to p-menthane-3,8-diols in water and carbon dioxide, Category: alcohols-buliding-blocks, the main research area is citronellal cyclization menthanediol green chem.

A clean process has been developed for the synthesis of p-menthane-3,8-diols from cyclization of citronellal in CO2-H2O medium without any additives. With the addition of CO2, the reaction rate could be enhanced about 6 times for the cyclization of citronellal in H2O, because CO2 dissolved into water and formed carbonic acid inducing an increase of the acidity. Although, the reaction conversion in CO2-H2O is slightly lower compared to that obtained with sulfuric acid as catalyst, CO2-H2O could replace the sulfuric acid at a relative higher reaction temperature The reaction kinetics studies showed that the hydration of isopulegol to p-menthane-3,8-diols is a reversible reaction. The equilibrium constant and the maximum equilibrium yield obtained in CO2-H2O at a range of CO2 pressures are similar to that with sulfuric acid catalyst.

Green Chemistry published new progress about Cyclization. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Laboratoire “Dauphin” published the artcileThe determination of citronellal, HPLC of Formula: 42822-86-6, the main research area is .

Cf. Holtappel, C. A. 22, 1214. The original Dauphin method is as follows: weigh 2 g. oil in a 100-cc. flask, add 20 cc. of 5% alc. NH2OH.HCl previously neutralized to helianthin, immediately titrate the liberated HCl with 0.2 N KOH in presence of helianthin. Holtappel’s modifications consist essentially in cooling the solution with ice, use of excess alkali with back titration after 15 min., and use of bromothymol blue instead of helianthin. Investigation of the effects of temperature showed negligible variations (maximum 0.5%) from 0° to 35°. Investigation of the causes of the irregularities in results obtained by Holtappel brought out the following facts: (1) citronellal is cyclicized by strong acids into isopulegol and its derivatives, there being formed chiefly hydroxy-3-ethoxy-8-p-menthane in alc. solution, while in hydro-alc. solution there is formed a mixture of this compound with 3,8-p-menthane diol; (2) neither of these compounds combines with NH2OH.HCl, and their formation leads to low results; (3) in strongly alc. solution these reactions are of secondary importance, there being formed citronellal ethylacetal, which protects the aliphatic mol. against cyclization; (4) contrary to generally accepted data, this reaction is almost instantaneous, even at -15°; (5) slight acidity catalyzes oximation before cyclization can take place to any appreciable extent. It is concluded that: (1) helianthin should be used as indicator, as the turning point of bromothymol blue is at such a low pH value of the solution that appreciable cyclization can occur, while a light red color with helianthin indicates optimum conditions for oximation and absence of cyclization; (2) the alc. KOH should be added sufficiently quickly to avoid production for any appreciable time of the distinct red characteristic of relatively high acidity, and sufficiently slowly to prevent high alkalinity which might slow the reaction and even prevent it from going to completion through formation of the fairly stable acetal. The fact that Holtappel obtained lower results by oximation in alk. solution than by oximation at low temperature in acid solution is attributed to the fact that, because of the use of bromothymol blue instead of helianthin, the true effects of acidity could not be detected. The original Dauphin method is more simple and rapid than Holtappel’s modification and is as accurate as the latter. The method is being applied in the Dauphin Laboratories to the determination of ketones in all essential oils (the determination of citronellal being the most delicate); and where the speed of the reaction is relatively low, by plotting curves the presence of several ketones in the same oil can frequently be brought out very clearly. The method is particularly suitable for determination of menthone in oil of mint, instead of the usual method of reducing with Na, washing, acetylating and saponifying

Parfums de France published new progress about Oils. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, HPLC of Formula: 42822-86-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Agramonte, Natasha M. published the artcileComparative evaluation of a silicone membrane as an alternative to skin for testing mosquito repellents, Quality Control of 42822-86-6, the main research area is mosquito repellents silicone membrane skin.

Repellents prevent mosquito bites and help reduce mosquito-borne disease, a global public health issue. Laboratory-based repellent bioassays predict the ability of compounds to deter mosquito feeding, but the variety of repellent bioassays and statistical anal. methods makes it difficult to compare results across methodologies. The most realistic data are collected when repellents are applied on the skin; however, this method exposes volunteers to chems. and mosquito bites. Silicone membranes were investigated as an alternative to human skin in assays of repellent efficacy. Results from module system bioassays conducted in vitro with a silicone membrane were compared with in vivo bioassays conducted with N,N-diethyl-3-methylbenzamide (referred to as DEET), 1-piperidinecarboxylic acid 2-(2-hydroxyethyl)-1-methylpropylester (referred to as Picaridin), Et 3-[acetyl(butyl)amino]propanoate (referred to as IR3535), and para-menthane-3,8-diol (referred to as PMD) applied directly on the skin of the leg. No significant difference in mosquito feeding was found when comparing skin and volunteer-worn membrane controls using blood; however, feeding was significantly lower in unworn membrane controls using either 10% sucrose or blood, indicating that worn membranes are a possible surrogate for untreated human skin. Pooled data from six volunteers were used to generate dose-response curves of blood-feeding activity. Results from skin-applied repellents were modeled to determine if membranes could provide a predictive correlate for skin. Goodness-of-fit comparisons indicated that the nonlinear dose-response curves for the skin and membrane differed significantly for DEET and Picaridin, but did not differ significantly for IR3535 and PMD. With knowledge of the dose-response relationships and further modifications to this system, the membrane-based tests could be used for standardized repellent testing with infected vectors.

Journal of Medical Entomology published new progress about Blood. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Quality Control of 42822-86-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Perichet, Christine published the artcileStudy of some Zanthoxylum species by chemical and DNA analysis approaches, Name: 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, the main research area is Zanthoxylum species difference chem DNA analysis; Fagara ; Zanthoxylum ; DNA recognition; authentication; fragrances.

The authentication and traceability of spices is a major concern for industrials and consumers. We focused on species from Zanthoxylum genera which are used for many different applications by local populations and also for trading as spices (dried pericarps or whole fruits). In this case, literature gives contradictory data about botanical names, and com. labeling is often confusing. We studied com. fruits pericarps extracts obtained by supercritical CO2 and analyzed them by GC/MS. The very complex volatile and semi volatile fractions composition of each extract is described. The barcoding method including mol. biol. and phylogenetic analyses was also developed in order to check the com. botanical identification of the raw material. This is a robust method to identify species in berries samples. We used one genetic marker to identify two Rutaceae clusters, including several species of Zanthoxylum genus. These results indicate that Fagara and Zanthoxylum groups could be considered as two different genera. Combination of chem. anal. and DNA anal. provides an original approach to increase chem. and botanical Zanthoxylum genus knowledge.

Chemistry & Biodiversity published new progress about Berry. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Name: 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Cisak, Ewa published the artcileRepellents and acaricides as personal protection measures in the prevention of tick-borne diseases, Computed Properties of 42822-86-6, the main research area is review repellent acaricide tick borne disease prevention.

A number of preventive measures for the protection of humans against tick-borne diseases were evaluated. Measures involving the avoidance of tick bites with the use of protective clothing and insect repellents are the simplest and most effective. Repellents are applied directly to the skin or clothing and other fabrics, such as bednets, tents and anti-mosquito screens. Currently, DEET (N,N-diethyl-m-toluamide) is considered the most efficient arthropod repellent reference substance. The registered and recommended active repellent ingredients for skin and/or cloths application, among others, are: DEET, 1-methyl-propyl-2- (hydroxyethyl)-1-piperidinecarboxylate (picaridin), p-menthane-3,8-diol (PMD), Et butylactyloaminopropionate (IR3535), 1S,2S-2-methylpiperidinyl-3-cyclohexene-1-carboxamide (SS220), racemic 2-methylpiperidinyl-3-cyclohexene-1-carboxamide (AI3-37220) and synthetic pyrethroid – 3-phenoxybenzyl-cis-trans-3(2,2 dichlorovinyl)-2,2-dimethylcyclopropancarboxylate (permethrin) – an acaricide with repellent properties. To achieve the protection from tick bites by avoiding attachment and/or engorgement by the arthropod, acaricides with repellent properties, such as synthetic pyrethroid-permethrin are used. This pyrethroid is an acaricide of choice used for clothing impregnation, which is effective for personal protection against all three parasitic stages of western black-legged ticks. Products based on natural compounds, e.g. eugenol from Ocimum basilicum, 2-undecanone originally derived from wild tomato, geraniol – a natural product extracted from plants, and many others, represent an interesting alternative to common synthetic repellents and/or acaricides.

Annals of Agricultural and Environmental Medicine published new progress about Acari. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Computed Properties of 42822-86-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Ono, Atsushi published the artcileValidation of the (Q)SAR combination approach for mutagenicity prediction of flavor chemicals, Quality Control of 42822-86-6, the main research area is flavor chem mutagenicity quant structure activity relationship.

Most exposure levels of flavor in food are considered to be extremely low. If at all, genotoxic properties should be taken into account in safety evaluations. We have recently established a (quant.) structure-activity relationship, (Q)SAR, combination system, which is composed of three individual models of mutagenicity prediction for industrial chems. A decision on mutagenicity is defined as the combination of predictive results from the three models. To validate the utility of our (Q)SAR system for flavor evaluation, we assessed 367 flavor chems. that had been evaluated mainly by JECFA and for which Ames test results were available. When two or more models gave a pos. evaluation, the sensitivity was low (19.4%). In contrast, when one or more models gave a pos. evaluation, the sensitivity increased to 47.2%. The contribution of this increased sensitivity was mainly due to the result of the prediction by Derek for Windows, which is a knowledge-based model. Structural anal. of false negatives indicated some common sub-structures. The approach of improving sub-structural alerts could effectively contribute to increasing the predictability of the mutagenicity of flavors, because many flavors possess categorically similar functional sub-structures or are composed of a series of derivatives

Food and Chemical Toxicology published new progress about Flavor. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Quality Control of 42822-86-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Yeh, Ping-Yuan published the artcileChanges undergone by citronella-oil fractions on storage, Product Details of C10H20O2, the main research area is .

During 43-month storage in the dark at room temperature some of the distilled citronella oil fractions had completely changed. The changed citronellal fraction consisted of H2O 1, isopulegol 20, menthoglycol (?) 10, citronellic acid 12, and citronellylidenecitronellal and higher condensation products 57%. The terpene fractions and the terpene alc. fractions also changed to the oxidation, condensation, and polymerization products. A pure citronellal fraction stood for 5 years almost unchanged.

Taiwan Kexue published new progress about Alcohols. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Product Details of C10H20O2.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hirsjarvi, Pekka published the artcileFormation of camphene glycol carbonate in the oxidation of camphene with SeO2, Application of 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, the main research area is .

cf. CA 53, 16194g. Camphene glycol carbonate (I), m. 147-8° was separated by distillation or adsorption chromatog. from the oxidation products of camphene with SeO2 in boiling Ac2O. Alk. hydrolysis of I yielded camphene glycol (II), m. 196-8°. II formed a mono-p-tosylate, m. 84.5-7.0°, which formed camphene hydrate, m. 152-5° on reduction with LiAlH4. The formation of I by SeO2 is a stereospecific reaction.

Suomen Kemistilehti B published new progress about Oxidation. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Application of 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Marcus, Julien published the artcileNano-droplet formation in water/ethanol or isopropanol/mosquito repellent formulations, Category: alcohols-buliding-blocks, the main research area is nanodroplet water ethanol isopropanol mosquito repellent formulation.

It was recently demonstrated that nano-structures were present in water/ethanol/oil systems, where the oil was either octanol or fragrance mols. The goal of the present work is to check if such structures exist also in other, related systems and if a general concept can be deduced from these observations. To this purpose, natural and synthetic mosquito repellent mols. were investigated, which represent nearly all repellents used on the market. For the ternary water/alc. (ethanol or isopropanol)/repellent systems ternary phase diagrams were established. The presence and the ordering of the nano-droplets were checked and characterized with dynamic and static light scattering and conductivity measurements. Based on these results it can be concluded that a nano-ordering with generally an organic continuum exists in hydro-alc. com. mosquito repellents, and thus that these systems are not simply mol. solutions This might have a consequence for diffusion processes in the skin.

Colloids and Surfaces, A: Physicochemical and Engineering Aspects published new progress about Culicidae. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts