Log In Sign up
The largest database of trusted experimental protocols
> Chemicals & Drugs > Organic Chemical > 4-xylene

4-xylene

4-xylene, also known as para-xylene, is an aromatic hydrocarbon compound commonly used in the production of various industrial chemicals and materials.
It is an important precursor for the synthesis of terephthalic acid, a key monomer in the manufacture of polyester fibers and plastics.
Researchers often conduct experiments to explore the properties, reactivity, and applications of 4-xylene in diverse fields such as organic chemistry, materials science, and process engineering.
This MeSH term provides a concise overview of the compound, highlighting its significance and the areas of research associated with it.

Most cited protocols related to «4-xylene»

1
Dissecting Non-polar Solvation Components
Cited 9 times
In implicit solvent models, the non-polar component of solvation is often assumed to correlate with the surface area and/or the volume based on theoretical arguments relating to cavity creation cost22 –26 (link). To explore this we computed the solvent accessible surface area and volume for all of the solutes considered here using GROMACS tool
g_sas with a probe radius of 1.4 nm.
We also further dissected the non-polar part (due the Lennard-Jones interactions) into repulsive and attractive components using the Weeks-Chandler-Andersen (WCA) separation27 . To do this, we implemented the WCA separation in a modified version of GROMACS 3.3.1.45
In our main study, we simply computed the total non-polar component and retained the trajectories. The attractive component for each solute was then obtained by applying the WCA separation to stored trajectories of the fully interacting solute, and reprocessing these simulations with the attractive interactions turned off to re-evaluate the energies. We computed the free energy for turning off the attractive interactions using exponential averaging (the Zwanzig relation28 ) and standard error analysis. This assumes that phase-space overlap is good between the ensemble where the solute has attractive interactions with water, and that where it does not. Error analysis should tell us if this is not the case. We further tested this by re-computing the attractive contribution using simulations at series of separate λ values (where λ modifies only the attractive interactions) for selected solutes (phenol, p-xylene, pyridine, and toluene) and found that computed free energies were within uncertainty of the values computed using exponential averaging, indicating overlap was sufficient.
With these attractive components, we then obtained repulsive components by subtracting the attractive component from the total non-polar component. This probably results in slightly larger uncertainties in computed repulsive components than would have resulted from computing the repulsive component separately, but it also saves a large amount of computer time since we had already computed the total non-polar component, and the repulsive portion of the calculation is the most difficult to converge.
Mobley D.L., Bayly C.I., Cooper M.D., Shirts M.R, & Dill K.A. (2009). Small molecule hydration free energies in explicit solvent: An extensive test of fixed-charge atomistic simulations. Journal of chemical theory and computation, 5(2), 350-358.
Publication 2009
4-xylene Creativity Disgust Indium Phenols Pyridines Radius Solvents Toluene
2
Alchemical Free Energy Calculations for Protein-Ligand Binding
Cited 6 times
The HREMD-based simulations utilized a modified version of the open-source Python alchemical free energy code YANK, which is built on the OpenMM GPU-accelerated molecular simulation library [20 , 39 (link)]. We performed our simulations using a generalized Born (GB) implicit representation of water [25 ]. A Langevin dynamics integrator with a 2 fs time step and a 0.1 ps−1 collision frequency was used, with a bath temperature of 298 K, and bonds to hydrogen were constrained by the CCMA method [55 (link)]. A flat-bottom restraint was implemented to keep the ligand in the vicinity of the protein while allowing it to sample in an unbiased way all spatially available and physically reasonable conformational space consistent with binding. The specific choices made for this potential are described below. Hamiltonian replica exchange [32 ] was used to improve sampling, along with a number of improvements described below. Simulations were run on GPU computing resources provided by XSEDE, including the NCSA Forge and Lincoln clusters.
All preliminary tests of simulation parameters and the 10-fold replicate test of simulation consistency were performed with 1-methylpyrrole, a known binder. The ability of our approach to differentiate binders from non-binders was then examined by introducing another three ligands: benzene, a small binder, p-xylene, a larger binder which requires conformational change of Val111, and phenol, a nonbinder, as a control [15 (link)]. By using p-xylene, the ability of the method to sample all relevant biomolecular motions of the protein can be examined. The system used in our simulations is shown in Fig. 1.
With sufficient sampling of all relevant binding states, the simulations here can also be used to calculate the protein-ligand free energy of binding. For this purpose, we additionally performed HREMD simulations of the ligand alone, in implicit solvent, with the same parameters as described above.
Wang K., Yang Y., Chodera J.D, & Shirts M.R. (2013). Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics. Journal of computer-aided molecular design, 27(12), 989-1007.
Publication 2013
4-xylene Bath Benzene Binding Proteins cDNA Library DNA Replication Hydrogen Bonds Ligands Phenols Proteins Python Solvents Tardigrada
3
Comprehensive Air Quality Monitoring in Chandigarh
Cited 3 times

Protocol full text hidden due to copyright restrictions

Open the protocol to access the free full text link

Publication 2020
4-xylene Air Pollutants Ammonia Benzene Carbon dioxide Chemiluminescence ethylbenzene Fluorescence Gas Chromatography Humidity Monoxide, Carbon Nitrogen Dioxide Nitrogen Oxides Oxide, Nitric Ozone Photometry Solar Energy Toluene Ultrasonics Viola Wind Xylene
4
Quantifying VOCs in Healthcare Settings
Cited 3 times
A previously validated evacuated canister method (personal 400 mL and area 6 L) was used to quantify the following analytes that were prevalent in healthcare settings during preliminary sampling or may be associated with asthma: ethanol, acetone, 2-propanol, methylene chloride, hexane, chloroform, benzene, methyl methacrylate, toluene, ethylbenzene, m, p-xylene, o-xylene, α-pinene and d-limonene.30 (link) These chemicals may arise from use of cleaning and disinfecting products as well as from chemicals used in laboratories such as xylenes in histology or methyl methacrylate in dental. Analysis was conducted according to the method using a preconcentrator attached to a gas chromatograph/mass spectrometer system. A single metric of TVOC exposure (TVOCMIX) was calculated as the sum of the 14 analyte concentrations. This metric is most likely an underestimation of exposure because it represents only the subset of VOC constituents in the air that were quantified during analysis.
LeBouf R.F., Virji M.A., Saito R., Henneberger P.K., Simcox N, & Stefaniak A.B. (2014). Exposure to volatile organic compounds in healthcare settings. Occupational and environmental medicine, 71(9), 642-650.
Publication 2014
4-xylene Acetone Asthma Benzene Chloroform d-Limonene Dental Health Services Ethanol ethylbenzene Gas Chromatography Hexanes Isopropyl Alcohol Methylene Chloride Methylmethacrylate o-xylene Toluene Xylenes
5
Lipid Composition Analysis Protocol
Cited 2 times
Sph, POPC and SM from Egg, Chicken were obtained from Avanti Polar Lipids, Inc. (Alabaster, AL, USA). Chol and TX-100 were obtained from Sigma-Aldrich (St. Louis, MO, USA). trans-parinaric acid (t-PnA) and pyranine were purchased from Molecular Probes/Invitrogen (Eugene, OR, USA). 8-Aminonaphthalene-1,3,6-Trisulfonic Acid, Disodium Salt (ANTS) and p-xylene-bis-pyridinium bromide (DPX) were supplied by Life Technologies (Carlsbad, CA, USA). The organic solvents were obtained from Fluka (St. Louis, MO, USA).
The concentration of the lipid and of the probes stock solutions were determined as previously described26 (link).
Carreira A.C., de Almeida R.F, & Silva L.C. (2017). Development of lysosome-mimicking vesicles to study the effect of abnormal accumulation of sphingosine on membrane properties. Scientific Reports, 7, 3949.
Publication 2017
1-Naphthylamine 4-xylene Acids Alabaster Ants Bromides Chickens Lipids Molecular Probes parinaric acid polyethylene glycol monooctylphenyl ether pyranine Sodium Chloride Solvents

Most recents protocols related to «4-xylene»

1
Catalytic Cracking of 1,3,5-Triisopropylbenzene
Catalytic cracking of 1,3,5-triisopropylbenzene (TiPBz) over the zeolitic materials under investigation was conducted using a pulse method based on gas chromatography (GC, Varian 3400), as described elsewhere40 (link). The schematic of the experimental rig used for the pulse experiments is shown in Supplementary Fig. 1a. To identify the retention time (RT) of all products, GC was calibrated first by injecting standards including benzene, toluene, o,m,p-xylene, 1,2,3- and 1,2,4-trimethylbenzene (TMB), 1,3- and 1,4-diisopropylbenzene (DiPBz) and TiPBz (Supplementary Fig. 1b). Before experiments, zeolites were pelletized, carefully crashed, and sieved to ~250 mesh (i.e., 63 μm) particle size. Then, 18 mg zeolite particles were loaded in an inlet liner (Restek 20793, i.d. = 4 mm, o.d. = 6.3 mm and length = 72 mm) made up of borosilicate glass, in which deactivated glass wool (Restek) was filled to hold the catalyst bed. The inlet liner was inserted into the GC and heated to 375 °C, keeping for 2 h to remove the inherited moisture in zeolites. In a typical pulse experiment, 0.2 μL of TiPBz was injected manually using a syringe (Thermo Fisher, 1 μL range), which was vaporized and carried to catalyst bed by 200 mL min−1 helium (He) gas flow. Partial flow of the products went through the GC column (Stabilwax i.d. = 0.32 mm, length = 30 m, film thickness = 1 µm) under a split ratio of 200:1, and then were analyzed online by flame ionization detector (FID) at 300 °C. Specifically, the initial temperature of the GC column was 80 °C, then increased to 220 °C at a ramp rate of 10 °C min−1, and maintained for 10 min. In total, the analysis time for one injection was 30 min, which was repeated 30 times for one sample.
Mendoza-Castro M.J., Qie Z., Fan X., Linares N, & García-Martínez J. (2023). Tunable hybrid zeolites prepared by partial interconversion. Nature Communications, 14, 1256.
Publication 2023
4-xylene Benzene Catalysis Dental Cavity Liner diisopropylbenzene Flame Ionization Gas Chromatography Helium Pulse Rate Retention (Psychology) Syringes Toluene Zeolites
2
Synthesis and Catalytic Evaluation of Mesoporous Materials
For the preparation of the mesoporous materials, USY Zeolite (CBV780) was supplied by Zeolyst, with a nominal Si/Al ratio of 40, and tetrapropylammonium bromide 98% was purchased from Sigma-Aldrich (St. Louis, MO). Sodium hydroxide (98% pellets) was supplied by Fluka.
For the synthesis of the quaternary ammonium bromide surfactant with the tripropyl head, tri-n-propylamine and 1-bromohexadecane both from Sigma-Aldrich were employed.
For the catalytic evaluation, 1,3,5-triisopropylbenzene (C15H24, 95%, Sigma-Aldrich) was used as feed stock. The chemicals used for GC calibration are:

From Sigma-Aldrich: Benzene (C6H6, ≥ 99.8%), toluene (C6H5CH3, ≥ 99.5%), para-xylene (C6H4(CH3)2, ≥99.5% GC), ortho-xylene (C6H4(CH3)2, ≥99.5% GC), meta-xylene (C6H4(CH3)2, ≥99.5% GC), 1,2,3-trimethylbenzene (C6H3(CH3)3, ≥99.5%, neat, GC), 1,2,4-trimethylbenzene (C6H3(CH3)3, 98%) and, 1,3-diisopropylbenzene (C12H18, 96%).

From Alfa Aesar: cumene (C9H12, 99%) and, 1,4-diisopropylbenzene (C12H18, 99%).

Mendoza-Castro M.J., Qie Z., Fan X., Linares N, & García-Martínez J. (2023). Tunable hybrid zeolites prepared by partial interconversion. Nature Communications, 14, 1256.
Publication 2023
1-bromohexadecane 3-xylene 4-xylene ammonium bromide Benzene Bromides Catalysis cumene diisopropylbenzene Head o-xylene Pellets, Drug Sodium Hydroxide Surfactants tetrapropylammonium Toluene tripropylamine Zeolites
3
Fabrication and Characterization of Perovskite LED Devices
The ITO glasses were cleaned with Triton X-100, isopropanol, and deionized water with ultrasonic cleaning for 30 min each. Then the glasses were exposed under O2 plasma for a quarter of an hour. After that, NiOx precursor was spin-coated the substrates and baked under 300 °C for 45 min covered with a big glass dish. Then, poly-TPD (6 mg mL−1 in chlorobenzene) layers and PVK (4 mg mL−1 in xylene) was spin-coated onto the NiOx at 3000 rpm and annealed on a hot plate for 20 min at 130 °C in a glovebox. The precursor was spin-coated onto the PVK substrate at 3000 rpm for 1 min, and annealed at 80 °C for 5 min. Last, 40 nm of TPBi, 1.2 nm of LiF, and Al (120 nm) electrodes were deposited under a based vacuum of ~7 × 10−7 torr.
The current density, luminance, and EQE values were tested by a Keithley 2612B and an integrating sphere (FOIS-1) with a QE Pro650 spectrometer (SpectrumTEQ-EL system). The EQE of LED can be defined as EQE=emittedphotonsoutLED/secondinjectedelectrons/second . The counts of photons per second are collected by an integrating sphere and a fiber spectrometer and the counts of electrons are collected with Keithley 2612B source meter. The LED devices were tested on top of the integrating sphere, and only forward light emission could be collected, which is consistent with the standard OLED characterization method. All the device test processes were performed in the N2-filled glovebox. The EL data of the 100 mm2 devices were measured by PR-655 spectrometer with a Keithley 2400.
Wang H., Xu W., Wei Q., Peng S., Shang Y., Jiang X., Yu D., Wang K., Pu R., Zhao C., Zang Z., Li H., Zhang Y., Pan T., Peng Z., Shen X., Ling S., Liu W., Gao F, & Ning Z. (2023). In-situ growth of low-dimensional perovskite-based insular nanocrystals for highly efficient light emitting diodes. Light, Science & Applications, 12, 62.
Publication 2023
4-xylene A Fibers chlorobenzene Electrons Eyeglasses Hyperostosis, Diffuse Idiopathic Skeletal Isopropyl Alcohol Light Medical Devices Plasma Poly A Triton X-100 Ultrasonics Vacuum
4
Radioactive Labeling Protocol for PonA
3H−PonA (radioactive specific activity 95 Ci·mmol−1, concentration 1 mCi·mL−1, 1.05 × 10−5 mol·L−1, PerkinElmer Inc., Shelton, CA, USA) and 95% tebufenozide (analytical pure) were used. The scintillation solution was 2,5-diphenyloxazole (PPO) and P-phenylene benzoxazole xylene.
Feng Y., Cui J., Jin B., Li X., Zhang X., Liu L, & Zhang L. (2023). In Vitro Binding Effects of the Ecdysone Receptor−Binding Domain and PonA in Plutella xylostella. Molecules, 28(3), 1426.
Publication 2023
4-xylene Benzoxazoles Radioactivity tebufenozide
5
UHMWPE-Graphene Nanocomposite Fabrication
UHMWPE GUR 4120 with a molecular weight of 5 × 106 g/mol was purchased from “Ticona GmbH” (Frankfurt, Germany); and polyethylene wax PLWN-3W with a molecular weight of 4000 g/mol was purchased from “INHIMTEK LLC” (Novokuibyshevsk, Russia). Graphene nanoplates (GNP) were obtained by oxidative intercalation of expanded graphite with subsequent ultrasonic treatment and purchased from Nanotechcenter Ltd. (Tambov, Russia). GNP was functionalized by the deposition of polyaniline (PANI) on the GNP surface because of the oxidative polymerization of aniline. All procedures and conditions were broadly explained and described in the reference [20 (link)]. Figures S1–S4 present the SEM, TEM, and Raman spectra for both unmodified GNP and modified GNP by PANI. p-xylene was used as a plasticizer for the UHMWPE composites at a ratio of 2.5 mL of a solvent per 1 g of the polymer blend.
Dayyoub T., Maksimkin A., Olifirov L.K., Chukov D., Kolesnikov E., Kaloshkin S.D, & Telyshev D.V. (2023). Structural, Mechanical, and Tribological Properties of Oriented Ultra-High Molecular Weight Polyethylene/Graphene Nanoplates/Polyaniline Films. Polymers, 15(3), 758.
Publication 2023
4-xylene aniline G 4120 Graphene Graphite Plasticizers polyaniline Polyethylenes Polymerization Polymers Solvents ultra-high molecular weight polyethylene Ultrasonics

Top products related to «4-xylene»

1
P xylene by Merck Group
Sourced in Germany, United States, China
P-xylene is a clear, colorless liquid hydrocarbon. It is used as a raw material in the production of various chemicals and materials.
2
Toluene by Merck Group
Sourced in United States, Germany, Italy, United Kingdom, India, Spain, Japan, Poland, France, Switzerland, Belgium, Canada, Portugal, China, Sweden, Singapore, Indonesia, Australia, Mexico, Brazil, Czechia
Toluene is a colorless, flammable liquid with a distinctive aromatic odor. It is a common organic solvent used in various industrial and laboratory applications. Toluene has a chemical formula of C6H5CH3 and is derived from the distillation of petroleum.
3
P xylene bis pyridinium bromide dpx by Thermo Fisher Scientific
Sourced in United States
P-xylene-bis-pyridinium bromide (DPX) is a chemical compound used as a mounting medium for microscopy samples. It is a water-soluble, synthetic resin that helps preserve and clear biological samples, enabling effective visualization under a microscope.
4
Ethanol by Merck Group
Sourced in Germany, United States, United Kingdom, Italy, India, France, China, Australia, Spain, Canada, Switzerland, Japan, Brazil, Poland, Sao Tome and Principe, Singapore, Chile, Malaysia, Belgium, Macao, Mexico, Ireland, Sweden, Indonesia, Pakistan, Romania, Czechia, Denmark, Hungary, Egypt, Israel, Portugal, Taiwan, Province of China, Austria, Thailand
Ethanol is a clear, colorless liquid chemical compound commonly used in laboratory settings. It is a key component in various scientific applications, serving as a solvent, disinfectant, and fuel source. Ethanol has a molecular formula of C2H6O and a range of industrial and research uses.
5
Ethylbenzene by Merck Group
Sourced in United States, Germany
Ethylbenzene is a clear, colorless liquid used as a chemical intermediate in the production of other compounds. It is commonly employed in the manufacturing of styrene, which is a key ingredient in various plastics and resins.
6
Sodium hydroxide (naoh) by Merck Group
Sourced in Germany, United States, India, United Kingdom, Italy, China, Spain, France, Australia, Canada, Poland, Switzerland, Singapore, Belgium, Sao Tome and Principe, Ireland, Sweden, Brazil, Israel, Mexico, Macao, Chile, Japan, Hungary, Malaysia, Denmark, Portugal, Indonesia, Netherlands, Czechia, Finland, Austria, Romania, Pakistan, Cameroon, Egypt, Greece, Bulgaria, Norway, Colombia, New Zealand, Lithuania
Sodium hydroxide is a chemical compound with the formula NaOH. It is a white, odorless, crystalline solid that is highly soluble in water and is a strong base. It is commonly used in various laboratory applications as a reagent.
7
Phenol by Merck Group
Sourced in United States, Germany, Spain, United Kingdom, Italy, India, China, Belgium, Australia, Hungary, Canada, Sao Tome and Principe, Czechia, France, Macao, Poland, Sweden, Japan
Phenol, also known as carbolic acid, is a widely used chemical compound in various laboratory and industrial applications. It is a crystalline solid with a distinctive aromatic odor. Phenol serves as a core functional group in many organic compounds and plays a crucial role in chemical synthesis processes.
8
Nitric acid by Merck Group
Sourced in Germany, United States, Italy, United Kingdom, India, France, Spain, Poland, Australia, Belgium, China, Japan, Ireland, Chile, Singapore, Sweden, Israel
Nitric acid is a highly corrosive, strong mineral acid used in various industrial and laboratory applications. It is a colorless to slightly yellow liquid with a pungent odor. Nitric acid is a powerful oxidizing agent and is commonly used in the production of fertilizers, explosives, and other chemical intermediates.
9
Dr3900 by HACH
Sourced in United States, Germany
The HACH DR3900 is a laboratory spectrophotometer designed for accurate and reliable measurement of a wide range of water quality parameters. It features a high-resolution color display, intuitive user interface, and pre-programmed methods for common water testing applications.
10
Iron nitrate by Merck Group
Sourced in United States, Germany
Iron nitrate is a chemical compound with the formula Fe(NO3)3. It is a crystalline solid that is soluble in water and other polar solvents. Iron nitrate is commonly used in various laboratory applications as a chemical reagent.

More about "4-xylene"

Explore the versatile world of 4-xylene, also known as para-xylene or p-xylene, a crucial aromatic hydrocarbon compound.
This versatile chemical serves as a pivotal precursor in the production of various industrial chemicals and materials, including the synthesis of terephthalic acid, a key monomer in the manufacture of polyester fibers and plastics.
Researchers investigating 4-xylene delve into its properties, reactivity, and diverse applications across fields such as organic chemistry, materials science, and process engineering.
This compound's significance extends beyond its industrial uses, as it is also a subject of interest in the realms of organic chemistry and materials research.
Closely related to other aromatic hydrocarbons like toluene and ethylbenzene, 4-xylene shares similarities in structure and reactivity.
Derivatives of 4-xylene, such as p-xylene-bis-pyridinium bromide (DPX), have also garnered attention for their unique properties and potential applications.
The exploration of 4-xylene often involves the use of various solvents, oxidizing agents, and other chemicals, including ethanol, sodium hydroxide, phenol, and nitric acid.
Sophisticated analytical techniques, such as UV-Vis spectroscopy (DR3900), and the incorporation of iron nitrate, enable researchers to delve deeper into the compound's characteristics and behavior.
By leveraging the power of AI-driven protocol comparisons through tools like PubCompare.ai, researchers can optimize their 4-xylene experimentation, identify the best protocols from literature, pre-prints, and patents, and enhance the reproducibility and accuracy of their findings.
This streamlined approach empowers researchers to achieve more reliable results and advance the understanding of this versatile aromatic compound.