Tag: M.W=200-250

Kosarac, Ivana published the artcileOpen characterization of vaping liquids in canada: chemical profiles and trends, Quality Control of 68527-74-2, the publication is Frontiers in Chemistry (Lausanne, Switzerland) (2021), 756718, database is CAplus and MEDLINE.

Currently, there is a lack of comprehensive data on the diversity of chems. present in vaping liquids To address this gap, a non-targeted anal. of 825 vaping liquids collected between 2017 and 2019 from Canadian retailers was conducted. Prior to mass spectrometry anal., samples were diluted 1:500 volume/volume with methanol or acetonitrile. Chem. compound separation and anal. was carried out using gas chromatog. and triple quadrupole mass spectrometry (GC-MS/MS) systems operated in the full scan mode and mass range of 35-450 m/z. Mass spectrum for each sample was obtained in electron ionization at 70 eV and processed. Non-targeted identification workflow included use of automated mass spectral deconvolution and identification system (AMDIS), where required, as well as a number of com. available spectral libraries. In order to validate identities, an inhouse database of expected compounds previously detected in vaping liquids was used along with genuine anal. standards for compounds of interest. This resulted in a dataset of over 1,500 unique detected chems. Approx. half of these chem. compounds were detected only once in a single product and not in multiple products analyzed. For any sample analyzed, on average, 40% of the chem. constituents appeared to have flavoring properties. The remainder were nicotine and related alkaloids, processing, degradation or indirect additives, natural extractives and compounds with unknown roles. Data published here from the project on the Open Characterization of vaping liquids is unique as it offers a detailed understanding of products’ flavor chem. profiles, the presence and frequency of chems. of potential health concern, as well as trends and changes in products’ chem. complexity over a three-year period. Non-targeted chem. surveillance such as this present valuable tools to public health officials and researchers in responding to emergent issues such as vaping associated lung injury or informing chem. based strategies which may be aimed at addressing product safety or appeal.

Frontiers in Chemistry (Lausanne, Switzerland) published new progress about 68527-74-2. 68527-74-2 belongs to dioxole, auxiliary class Dioxolane,Benzene,Phenol,Ether, name is 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, and the molecular formula is C11H14O4, Quality Control of 68527-74-2.

Referemce:
https://en.wikipedia.org/wiki/1,3-Benzodioxole,
Dioxole | C3H4O2 – PubChem

Dikusar, E. A. published the artcileSynthesis of New 1-Adamantanecarboxylic Acid Derivatives, Category: dioxole, the publication is Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii) (2004), 40(3), 346-352, database is CAplus.

Reactions of 1-adamantanecarbonyl chloride with functionally substituted alcs., phenols, amines, thiols, and ketone oximes gave hitherto unknown 1-adamantanecarboxylic acid esters, amides, and thio esters, including those containing a peroxide group.

Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii) published new progress about 68527-74-2. 68527-74-2 belongs to dioxole, auxiliary class Dioxolane,Benzene,Phenol,Ether, name is 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, and the molecular formula is C11H14O4, Category: dioxole.

Referemce:
https://en.wikipedia.org/wiki/1,3-Benzodioxole,
Dioxole | C3H4O2 – PubChem

Pouretedal, Hamid Reza published the artcileA simple method for predicting the gas-chromatographic retention indices of phenolic derivatives, Formula: C11H14O4, the publication is Journal of the Iranian Chemical Society, database is CAplus.

A simple approach is proposed to predict the gas-chromatog. retention indexes in nonpolar columns for a wide range of phenolic derivatives, through their mol. structures and independent of temperature data and active phase of column. The new model is based on the number of atoms and some structural moieties which depend on intra- and intermol. interactions. The present method can be easily applied for many kinds of phenolic compounds containing different substituents without using special computer codes, which need expert users. A big pool of the exptl. data (335 compounds) of retention indexes is used to construct the new model (80% for training set and 20% for test set). Different statistical parameters including the coefficient of determination, R2 (= 0.9482), root mean squared error, RMSE (= 89.01), and mean absolute percent error, MAPE (= 4.494), are used to investigate the reliability of the model, through both internal and external validation techniques.

Journal of the Iranian Chemical Society published new progress about 68527-74-2. 68527-74-2 belongs to dioxole, auxiliary class Dioxolane,Benzene,Phenol,Ether, name is 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, and the molecular formula is C11H14O4, Formula: C11H14O4.

Referemce:
https://en.wikipedia.org/wiki/1,3-Benzodioxole,
Dioxole | C3H4O2 – PubChem

Wang, Wen-lan published the artcileSynthesis of vanillin propylene glycol acetal over different molecular sieve catalysts, COA of Formula: C11H14O4, the publication is Huaxue Gongchengshi (2009), 23(4), 1-3, database is CAplus.

The vanillin 1,2-propylene glycol acetal was synthesized using vanillin and 1,2-propylene glycol as starting materials and HZSM-5, HY, H beta, HMCM-22, HMCM-41 different type mol. sieve as the catalyst. The catalysts were characterized by means of N₂ adsorption-desorption and FT-IR of adsorption pyridine. The results indicate that the HMCM-22 mol. sieve has the higher activity and the each kind of mol. sieve active order is: HMCM-22 > H beta > USY > HY > HZSM-5 > HMCM-41. The higher activity was due to the large secondary pore structure of HMCM-22 mol. sieve and the suitable acidity.

Huaxue Gongchengshi published new progress about 68527-74-2. 68527-74-2 belongs to dioxole, auxiliary class Dioxolane,Benzene,Phenol,Ether, name is 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, and the molecular formula is C17H29BO2, COA of Formula: C11H14O4.

Referemce:
https://en.wikipedia.org/wiki/1,3-Benzodioxole,
Dioxole | C3H4O2 – PubChem

Berkelhamer, Sara K. published the artcileIn vitro consequences of electronic-cigarette flavoring exposure on the immature lung, COA of Formula: C11H14O4, the publication is International Journal of Environmental Research and Public Health (2019), 16(19), 3635, database is CAplus and MEDLINE.

The developing lung is uniquely susceptible and may be at increased risk of injury with exposure to e-cigarette constituents. We hypothesize that cellular toxicity and airway and vascular responses with exposure to flavored refill solutions may be altered in the immature lung. Fetal, neonatal, and adult ovine pulmonary artery smooth muscle cells (PASMC) were exposed to popular flavored nicotine-free e-cigarette refill solutions (menthol, strawberry, tobacco, and vanilla) and unflavored solvents: propylene glycol (PG) or vegetable glycerin (VG). Viability was assessed by lactate dehydrogenase assay. Brochodilation and vasoreactivity were determined on isolated ovine bronchial rings (BR) and pulmonary arteries (PA). Neither PG or VG impacted viability of immature or adult cells; however, exposure to menthol and strawberry flavored solutions increased cell death. Neonatal cells were uniquely susceptible to menthol flavoring-induced toxicity, and all four flavorings demonstrated lower LDs (LD50) in immature PASMC. Exposure to flavored solutions induced bronchodilation of neonatal BR, while only menthol induced airway relaxation in adults. In contrast, PG/VG and flavored solutions did not impact vasoreactivity with the exception of menthol-induced relaxation of adult PAs. The immature lung is uniquely susceptible to cellular toxicity and altered airway responses with exposure to common flavored e-cigarette solutions

International Journal of Environmental Research and Public Health published new progress about 68527-74-2. 68527-74-2 belongs to dioxole, auxiliary class Dioxolane,Benzene,Phenol,Ether, name is 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, and the molecular formula is C11H14O4, COA of Formula: C11H14O4.

Referemce:
https://en.wikipedia.org/wiki/1,3-Benzodioxole,
Dioxole | C3H4O2 – PubChem

Woelfel, Keith published the artcileMass spectrometry of the acetal derivatives of selected generally recognized as safe listed aldehydes with ethanol, 1,2-propylene glycol and glycerol, Name: 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, the publication is ACS Symposium Series (1998), 193-210, database is CAplus.

The FEMA-GRAS list offers flavor chemists a repertoire of nearly 2000 chems. for use in compounding natural and synthetic flavors for the U.S. marketplace. Aldehydes constitute an important class of these potential flavorants and are widely utilized to impart specific nuances. Alcs. such as ethanol, 1,2-propylene glycol and glycerol are commonly employed as solvents in compounded flavor systems due to their low odor and miscibility in a wide range of aqueous and organic matrixes. However, alcs. and aldehydes react rapidly under anhydrous conditions to form acetal derivatives which often possess different sensory properties. This well known reaction is reversible and its equilibrium is influenced by time, temperature, pH and moisture content. Mass spectra of acetals are currently under represented in com. databases and few literature references are available. Our investigation involved a systematic mass spectrometric study of the acetal derivatives of selected GRAS aldehydes reacted with ethanol, 1,2-propylene glycol and glycerol. Aldehydes from different chem. classes representing saturated and unsaturated aliphatics, aromatics, heterocyclics, terpenoids and others were included for characterization. The corresponding acetals were synthesized, analyzed by GC-MS in electron ionization mode and their retention indexes on a non-polar (polydimethylsiloxane) capillary column were determined A database of mass spectra was produced which includes many previously unreported species. In total, over 60 individual mass spectra were recorded. The characteristic mass spectral fragmentation pathways for each class of acetal are described.

ACS Symposium Series published new progress about 68527-74-2. 68527-74-2 belongs to dioxole, auxiliary class Dioxolane,Benzene,Phenol,Ether, name is 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, and the molecular formula is C14H14, Name: 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol.

Referemce:
https://en.wikipedia.org/wiki/1,3-Benzodioxole,
Dioxole | C3H4O2 – PubChem

Climent, Maria Jose published the artcileSynthesis of hyacinth, vanilla, and blossom orange fragrances: the benefit of using zeolites and delaminated zeolites as catalysts, Recommanded Product: 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, the publication is Applied Catalysis, A: General (2004), 263(2), 155-161, database is CAplus.

The synthesis of phenylacetaldehyde glycerol acetals, 2-benzyl-4-hydroxymethyl-1,3-dioxolane (1), 2-benzyl-5-hydroxy-1,3-dioxane (2), and vanillin propylene glycol acetal (2-(4-hydroxy-3-methoxyphenyl)-4-methyl-1,3-dioxolane) (3) which are flavoring compounds with hyacinth and vanilla scent fragrances, have been carried out successfully by acetalization of phenylacetaldehyde and vanillin with glycerol and propylene glycol, resp., using toluene as solvent and zeolite catalysts whose adsorption properties have been optimized. However, in the case of a larger size acetal such as 2-acetonaphthone propylene glycol acetal (4) with blossom orange scent, geometrical constraints make the diffusion of reactants and products inside the micropores more difficult. In this case, a delaminated zeolite (ITQ-2) with very large and structured external surface is an active and selective catalyst. Furthermore, the delaminated zeolite allows the reaction to be carried out in a solvent-free system, opening the possibility for an environmentally friendly process for the synthesis of acetal fragrances.

Applied Catalysis, A: General published new progress about 68527-74-2. 68527-74-2 belongs to dioxole, auxiliary class Dioxolane,Benzene,Phenol,Ether, name is 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, and the molecular formula is C11H14O4, Recommanded Product: 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol.

Referemce:
https://en.wikipedia.org/wiki/1,3-Benzodioxole,
Dioxole | C3H4O2 – PubChem

Liu, Zongrui published the artcileSynthesis of vanillin 1,2-propylene glycol acetal catalyzed by H₃PMo₆W₆O₄₀·nH₂O, Recommanded Product: 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, the publication is Journal of Chemistry and Chemical Engineering (2010), 4(2), 22-26, database is CAplus.

Vanillin 1,2-propylene glycol acetal was synthesized from vanillin and 1,2-propylene glycol using H₃PMo₆W₆O₄₀·nH₂O as catalyst. The factors influencing the synthesis were discussed and the better reaction conditions were found as follows: The amount of vanillin was 3.8 g, the molar ratio of vanillin was 1,2-propylene glycol 1.0 to 2.4, the amount of catalyst was 1.6% in proportion to the total reacting materials, the volume of cyclohexane as the water-carrying agent 4 mL, the refluxing time was 2 h at 88-96 °C and thus the product yield reached over 87%. The results show that the catalyst’s activity is high and the reaction time is short.

Journal of Chemistry and Chemical Engineering published new progress about 68527-74-2. 68527-74-2 belongs to dioxole, auxiliary class Dioxolane,Benzene,Phenol,Ether, name is 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, and the molecular formula is C11H14O4, Recommanded Product: 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol.

Referemce:
https://en.wikipedia.org/wiki/1,3-Benzodioxole,
Dioxole | C3H4O2 – PubChem

Abouassali, Obada published the artcileIn vitro and in vivo cardiac toxicity of flavored electronic nicotine delivery systems, Recommanded Product: 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, the publication is American Journal of Physiology (2021), 320(1), H133-H143, database is CAplus and MEDLINE.

The usage of flavored electronic nicotine delivery systems (ENDS) is popular, specifically in the teen and young adult age-groups. The possible cardiac toxicity of the flavoring aspect of ENDS is largely unknown. Vaping, a form of electronic nicotine delivery, uses “e-liquid” to generate “e-vapor,” an aerosolized mixture of nicotine and/or flavors. We report our investigation into the cardiotoxic effects of flavored e-liquids E-vapors containing flavoring aldehydes such as vanillin and cinnamaldehyde, as indicated by mass spectrometry, were more toxic in HL-1 cardiomyocytes than fruit-flavored e-vapor. Exposure of human induced pluripotent stem cell-derived cardiomyocytes to cinnamaldehyde or vanillin-flavored e-vapor affected the beating frequency and prolonged the field potential duration of these cells more than fruit-flavored e-vapor. In addition, vanillin aldehyde-flavored e-vapor reduced the human ether-a-go-go-related gene (hERG)-encoded potassium current in transfected human embryonic kidney cells. In mice, inhalation exposure to vanillin aldehyde-flavored e-vapor for 10 wk caused increased sympathetic predominance in heart rate variability measurements. In vivo inducible ventricular tachycardia was significantly longer, and in optical mapping, the magnitude of ventricular action potential duration alternans was significantly larger in the vanillin aldehyde-flavored e-vapor-exposed mice than in controls. We conclude that the widely popular flavored ENDS are not harm free, and they have a potential for cardiac harm. More studies are needed to further assess their cardiac safety profile and long-term health effects.

American Journal of Physiology published new progress about 68527-74-2. 68527-74-2 belongs to dioxole, auxiliary class Dioxolane,Benzene,Phenol,Ether, name is 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, and the molecular formula is C11H14O4, Recommanded Product: 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol.

Referemce:
https://en.wikipedia.org/wiki/1,3-Benzodioxole,
Dioxole | C3H4O2 – PubChem

Li, Li published the artcileMetal-containing TUD-1 mesoporous silicates as versatile solid acid catalysts for the conversion of bio-based compounds into valuable chemicals, Quality Control of 68527-74-2, the publication is Inorganica Chimica Acta (2015), 289-296, database is CAplus.

Three-dimensional mesoporous silicates of the TUD-1 family were synthesized with different metals (Zr, Hf and Sn) incorporated in the framework of the material. The mesoporosity of the prepared TUD-1s was confirmed by x-ray diffraction (x-ray diffraction), nitrogen physisorption and TEM. The incorporation of the metals in the silicate structure was investigated by FT-IR and UV-Vis spectroscopy. All three TUD-1 materials present a combination of Lewis and mild Bronsted acid sites, as determined by TPD-FT-IR of pyridine adsorption. The metal-containing TUD-1 materials were tested as solid acid catalysts for the conversion of three bio-based compounds into valuable chem. products. In the conversion of dihydroxyacetone into Et lactate, complete selectivity towards the desired lactate product was achieved with Zr-, Hf- and Sn-TUD-1. The three heterogeneous catalysts displayed similar activity, with Hf-TUD-1 reaching the highest conversion and metal-based turnover number Sn-TUD-1 also displayed high activity and selectivity in two acetalization reactions, i.e. the synthesis of solketal from acetone and glycerol and the reaction of vanillin with propylene glycol. The catalytic performance of these TUD-1 materials is ascribed to the high accessibility of their active sites and to the suitable combination of acid sites. The catalysts were successfully reused in consecutive runs and did not suffer from leaching.

Inorganica Chimica Acta published new progress about 68527-74-2. 68527-74-2 belongs to dioxole, auxiliary class Dioxolane,Benzene,Phenol,Ether, name is 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, and the molecular formula is C11H14O4, Quality Control of 68527-74-2.

Referemce:
https://en.wikipedia.org/wiki/1,3-Benzodioxole,
Dioxole | C3H4O2 – PubChem