1%v/v concentrations). CAS 108-88-3. 75% Standard InChI 4-Methylbenzenesulfonic acid monohydrate. Toluene is miscible (soluble in all proportions) with diethyl ether, acetone, ethanol, benzene, chloroform, glacial acetic acid and carbon disulfide, but insoluble in water. 042923 Da. Monoisotopic mass 174. It was Description. 1: kJ/mol: Review: Roux, Temprado, et al. 3 days ago · Reactions of Toluene. As a volatile solvent, misuse or abuse is common, resulting in an acute toxidrome. Benzenesulfonic acid, 4-methyl-, monohydrate. 14. 96 J/ (mol K) Gas properties. Molecular Formula CHNO. Molecular mass. Toluene: Toluene has a sweet, pungent odor. 0749 g/mol + 8. Molar mass of C6H5CH3 = 92. Toluene [C6H5CH3]: anhydrous colorless liquid substance with a pungent aromatic odor, molecular weight 92. Synonyms: Toluene. Molecular Formula for toluene. Molecular mass or molecular weight is the mass of a molecule. 88 g/cm³ depending on purity and temperature. 1384; , The thermodynamics of bromination of toluene and the heat of formation of the benzyl radical d(ln(k H))/d(1/T): Temperature dependence parameter for Henry's Law constant: k° H Henry's Law constant at 298. Quantity Value Units Method Reference Comment; Δ f H° gas: 50. The initial concentrations of toluene, NO and O 3 in the reaction systems were 500 ppb, 250 ppb and 200 ppb, respectively. 14 MDL Number: MFCD00008512 InChI Key: YXFVVABEGXRONW-UHFFFAOYSA-N Synonym: methylbenzene,toluol p-Toluenesulfonic acid ( PTSA, pTSA, or pTsOH) or tosylic acid ( TsOH) is an organic compound with the formula CH 3 C 6 H 4 SO 3 H. Formula: C 7 H 8; Molecular weight: 92. 00794 = 8. (7) The chemical formula for toluene-2,4-diamine is C 7 H 10 N 2, and it has a molecular weight of 122. All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. 14) Parent Compound. , 2008: There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. Chemistry 367L/392N Toluene 0. It is a white extremely hygroscopic solid that is soluble in water, alcohols, and other polar organic solvents. 1 ± 1. Other effects include respiratory problems, stomach gas, rise in blood pressure, dizziness, convulsions, fainting, and coma. Toluene is less dense than water and will float on Jan 1, 2018 · In this study, molecular characteristics of polystyrene (PS) was calculated measuring its dilute-solution properties in toluene at 288. The simulation box is shown in the left panel of Fig. 13: Fabri et al. 4 mm Hg at 25 Jun 3, 2022 · Molecular weight 92. It is used as an additive in gasoline and improves octane ratings, as a fullerene indicator, in paint thinners and silicone sealants, as a coolant in sodium cold traps used in nuclear reactor system Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others. Use this link for bookmarking this species for future reference. ] Up to 400 ppm: (APF = 10) Any chemical cartridge respirator with organic vapor cartridge (s)* (APF = 25) Any powered, air-purifying Toluene diisocyanate. To view TLV and Documentation, you must be logged in as an ACGIH member Step1. 5°C, whereas toluene has a higher General description. 1384; , The rate-energy functions for the formation of tropylium and benzylium ions from toluene molecular cations Toluene undergoes alkylation in the presence of modified ZSM (Zeolite Socony Mobil)-5-class zeolite catalysts to form p-xylene with high selectivity. By means of multiscale hierarchical modeling we study the real time evolution of low-molecular-weight polystyrene, below the glass transition temperature, in contact with its solvent, toluene. Toluene-2,4-diamine is a colorless, crystalline solid. It is used as an additive in gasoline and improves octane ratings, as a fullerene indicator, in paint thinners and silicone sealants, as a coolant in sodium cold traps used in nuclear reactor system gas phase; toluene D8, forms pi complex; M: Δ r H° 111. 7 Weakening of C-H Bond Acetone 4. Step2. 15 g/mol. Toluene mixes readily with many organic solvents, but is poorly soluble in water. Go To: Top Data from NIST Standard Reference Database 69: NIST Chemistry WebBook The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. Browse Toluene and related products at Merck. 13 g/mol. 6°C. A4 —Not Classifiable as a Human Carcinogen. Permanent link for this species. Toluene melts at -95 °C and boils at 111 °C. kJ/mol: PHPMS: Wojtyniak and Stone, 1986: gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M: Quantity Value Units Method Reference Comment; Δ r S° 146. Browse Toluene and related products at MilliporeSigma. The different symbols correspond to experimental data of [9] (T 24 ± C Toluene. It has a boiling point of about 110. The boiling points of xylene isomers range from 138 to 144°C, depending on the isomer. 00 kJ/mol. (1) Toluene occurs as a colorless, flamma 6 ble 5, re 3 fractive liquid, that is slightly soluble in water. Toluene is a common solvent in organic chemistry. It is flammable at temperatures greater than 40°F (4. 14. 1384; , The rate-energy functions for the formation of tropylium and benzylium ions from toluene molecular cations Toluene is a clear, colorless, volatile liquid with a sweet, pungent, benzene-like odor. Toluene undergoes alkylation in the presence of modified ZSM (Zeolite Socony Mobil)-5-class zeolite catalysts to form p-xylene with high selectivity. Benzene has a density of about 0. 865kg/m³) to calculate the volume of solvent used. Synonyms include methyl benzene, methyl benzol, phenyl methane, and toluol. 1. (1) Toluene has a sweet, pungent odor, with an odor threshold of 2. H (Hydrogen) 8 × 1. Toluene, aromatic hydrocarbon used extensively as starting material for the manufacture of Notes. Molar Mass. Contact Technical Service. Find Mole Fraction. Toluene (C 6H 5 CH 3 ) CAS 108-88-3; UN 1294. 14) Dates. 866 kg/L, and the molecular weight of toluene is 92. 1384; Shlenkina, N. We overcome the intrinsic difficulties of obtaining an equilibrated atomistically detailed polymer surface structure with a hierarchical Feb 1, 2019 · The number of large molecular weight products were characterized in the three reaction systems ranged between 36 and 45 species, with carbon numbers of 12–38 and DBE values of 1–18. Its structure consists of a methyl group (CH 3) attached to a phenyl group (C 6 H 5 ), which is a cyclic ring of six carbon atoms. Polymers of molecular weights ranging from 8. The oxidation of toluene forms benzaldehyde which can After the identification of some of toluene’s molecular actions, several research groups studied metabolic and neurochemical changes associated with toluene exposure. 1384; , The rate-energy functions for the formation of tropylium and benzylium ions from toluene molecular cations Class II Combustible Liquid: Fl. CC Persons exposed only to toluene vapor do not pose substantial risks of secondary contamination. 9 parts per million (ppm). CID 6101 (p-Toluenesulfonic acid) Component Compounds. 6- 445) x I 0 3 and compared with the results of our previous light scattering measurements. Toluene: The molar mass of toluene is about 92. Oxidizers, peroxides, strong acids, iron or aluminum salts [Note: Usually inhibited with tert-butyl catechol to prevent polymerization. (1) The vapor pressure for toluene-2,4-diamine is 0. CAS: 108-88-3: Color: Clear colourless Liquid: Molecular Formula: C7H8: Appearance: Clear colorless liquid: InChI Key: YXFVVABEGXRONW-UHFFFAOYSA-N: SMILES: CC1=CC=CC=C1 Toluene. When doped on graphene, it acts as an electron donor leading to alteration in graphene electrical properties due to electrochemical interaction. 75K) Also known as: Methylbenzene ; Phenylmethane ; Toluol. Toluene is a hydrocarbon, specifically an aromatic hydrocarbon, with the chemical formula C 7 H 8 or CH 3 C 6 H 5. measured osmometrically for polystyrene in toluene at 30 'C in the molecular weight range of (6. Monograph ID M10958 Title Toluene UNII 3FPU23BG52 Molecular formula C 7 H 8 Molecular weight 92. Molecular formula: C 6 H 5 CH 3. Molecular formula: C 7 H 8. It has a role as a NMR solvent. If you have the misfortune to come across the word benzol, be forewarned that this is an old German word for benzene. [6] The CH 3 C 6 H 4 SO 2 group is known as the tosyl group and is often abbreviated as Ts or Tos. G. 156 Da. Aspiration hazard if swallowed - can enter lungs and cause damage. molecular weight polystyrene in toluene at various concentrations are represented in figure 1. . Formula: C 7 H 8; Molecular weight Bottomley, G. 0107 = 84. , Vapour Pressure of Toluene from 273. Other names: Benzene-D5-, methyl-D3-; Perdeuterotoluene; C6D5CD3; (2H8)toluene. 859 epa pesticide chemical code 080601 toluolo tolueen methyl Volumes and heat capacities in the continuious phase water-n-butanol-toluene of reverse micelles, Fluid Phase Equilibria, 1986, 25, 209-230. Both benzene and toluene are insoluble in water but soluble in organic solvents due to their non-polar nature. 06352 g/mol = 92. Chemical structure: This structure is also available as a 2d Mol file. (1) Toluene-2,4-diamine is very soluble in hot water. Normal boiling temperature (Liquid and Gas) CAS number: 108-88-3. at or above 100°F and below 140°F. Jan 23, 2023 · The benzyl group is based on methylbenzene (toluene), with one H removed from the methyl group. was 108-88-3, was purchased from El-Gomhouria Liquid toluene is flowing through a pipe at a rate of 175 m 3 /h. Create: 2005-03-27. It is calculated as the sum of the atomic mass of each constituent element multiplied by the number of atoms of that element in the molecular formula. 2,4-TDI is produced in the pure state, but TDI is often marketed as 80/20 and 65/35 mixtures of the 2,4 and 2,6 isomers respectively. Molecular Weight: 92. 13842 g/mol. 4 × 10 6 were used. 15K Toluene. 7 × 10 3 to 2. VGHOWOWLIXPTOA-UHFFFAOYSA-N. 2013: Table 4-2, Physical and Chemical Properties of Toluene - Toxicological Profile National Institute for Occupational Safety and Health (NIOSH) Recommended Exposure Limit (REL): 100 ppm (375 mg/m 3) 10-hour TWA; 150 ppm (560 mg/m 3) STEL. OTO –Ototoxicant. We have determined intrinsic viscosities for five polystyrene samples of molecular weights 9:0 104–1:2 106 in toluene-supercritical CO2mixutures at 40 C under high pressure (7– 10 MPa). 2,4-TOLUENEDIAMINE neutralizes acids in exothermic reactions to form salts plus water. The solution models consisted of PS chains with different number of repeating units all of which were in a dilute regime. The ACGIH Threshold Limit Value (TLV) was established in 2006. 4 mm Hg at 25 Exposure to toluene-2,4-diamine is primarily occupational. 1 Freezing point/melting point-139°F Vapor pressure: 21 mmHg Toluene, 10-300 ppm range : Sampling information Dec 24, 2023 · 11. Persons whose clothing or skin is contaminated with liquid toluene can cause Description. 00794. 6° C [231. For example, using microPET, [ 84] it has been shown that acute and repeated toluene exposure markedly reduces metabolic function in rat brain. When comparing the physical properties of benzene and toluene, several differences can be observed. 14 InChI Key: YXFVVABEGXRONW-UHFFFAOYSA-N SMILES: CC1=CC=CC=C1 Synonym: toluene caswell no. NIOSH Immediately Dangerous To Life or Health Concentration (IDLH): 500 ppm. Two of the six possible isomers are commercially important: 2,4-TDI (CAS: 584-84-9) and 2,6-TDI (CAS: 91-08-7). Synonyms. 87 g/cm³ to 0. 15 K via molecular dynamics (MD) simulations. [ all data ] Tardajos, Aicart, et al. Molecular Weight 92. 176. S o liquid. 220. View More Molecular Weight. Compute Mass of Each Element. Toluene. Toluene is a colorless, water-insoluble liquid with a distinctive smell. It has been reported to be a biotoxic solvent (toxic to many microorganisms at 0. 96 J/ (mol K) Heat capacity cp. Toluene molecular weight. Its anaerobic biodegradation to CO 2, by the denitrifying bacterium Thauera arornatica has been reported. Toluene is made only two Feb 1, 2019 · Herein, the photoconversion of toluene in three reaction systems, toluene, toluene/NO and toluene/O 3 with simulated clean air (N 2 /O 2 = 79:21) as a matrix, was examined at 278 K and 308 K for up to 4 days. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides. 4°C); therefore, it is a significant fire hazard at room temperature. CAS number: 108-88-3. Toluene is widely used as an organic solvent in various industries like paints, pharmaceuticals, dyes, agrochemicals and polymers. Average mass 174. 0107*6 + 1. Acute (short-term) exposure to high levels of toluene-2,4-diamine in humans has caused severe skin and eye irritation sometimes leading to permanent blindness. Structural Formula. 00794*3 Toluene, a benzene analog, is widely employed as an organic solvent. Isotopologues: Toluene. A. Xylene, also a colorless liquid, has a sweet odor and is slightly greasier than toluene. cyclohexane toluene. Benzene: Benzene is an aromatic compound having the chemical formula C 6 H 6. It is insoluble in water, but in vapor phase will form an azeotrope. Benzene: The molar mass of benzene is about 78. 1. The methyl group of toluene is a side chain in the aromatic ring structure and is oxidised to the carboxyl group in the presence of a strong oxidising agent. As per USP and EP, it belongs to the Class 2 category of organic solvents and has limited application in the synthesis of pharmaceuticals, due to its moderate toxicity. Std enthalpy change. Figure 2 shows the molecules benzyl chloride and phenyl chloride; these are based on the groups discussed above. Causes eye, skin, and respiratory tract irritation. Chronic low-level occupational or industrial exposure to toluene can cause toxicity. 13842 g/mol Convert grams Toluene to moles. 14) Component Compounds. 14 g/mol. Study on the molecular weight dependence of dilute solution properties of narrowly distributed polystyrene in toluene and in the unperturbed state. Toluene is a non-polar organic solvent and methyl derivative of benzene. 15 to , The thermodynamics and molecular structure of CAS Registry Number: 2037-26-5. 14 Percent composition C 91. The toluene formula shows that its molecule is composed of a total of seven carbon atoms and eight hydrogen atoms. Molar volume: 106. 4 mm Hg at 25 The molecular weight of toluene is available in molecular weight page of toluene, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of toluene. 00794*5 + 12. 1 Resonance stabilized Ethyl Benzene 0. It forms a syndiotactic polystyrene-toluene molecular compound. 8%, Thermo Scientific Chemicals Catalog Number: 041464. Die Makromolekulare Chemie 1983 , 184 (10) , 2173-2186. 22 g/mol. moles Toluene to grams. 87 g/ml. 249 mm Hg at 25 °C, and the log octanol/water partition coefficient Mar 10, 2010 · Figure 4 shows the dependence of A 3 on molecular weight, in which literature data for butyl-PS in toluene at 15 °C 19 and those for butyl-PS in benzene at 25 °C 7, 9 are included. toluene cyclohexane. 87 g/cm³, while toluene is slightly denser at approximately 0. 13 g/mol, purity of 95%, CAS No. The transi- tion from the shear-rate independent to the shear-rate dependent viscosity occurs over a relatively narrow region due to the narrow molecular weight distribution of the PS sample. Toluene diisocyanate ( TDI) is an organic compound with the formula CH 3 C 6 H 3 (NCO) 2. Benzene has a boiling point of 80. 0107 + 1. The conversion Toluene has the formula C7H8 and a molecular weight of 92. Its chemical formula is that of methylbenzene, C 6 H 5 CH 3. Melting Point: -93 C. Computed by PubChem 2. Jan 1, 1984 · Viscosities of solutions of polystyrene in toluene were measured for concentrations up to 400 kg m −3 at 298 K. Molecular weight calculation: 12. , Molecular light scattering by acetic acid solutions in toluene and n- pentyl acetate For this compound, WTT contains critically evaluated recommendations for: (Please note that if more than 50 points are used for regression, only the 50 most-constraining points are reported) Triple point temperature (Crystal 1, Liquid, and Gas) 35 experimental data points. 6°C (231. 30 g/mol. C13H20. Synonyms: Aantisal 1a; Methacide; Methyl-benzene; Methylbenzol; Monomethyl benzene; Phenyl methane; Toluol; Tolu-sol. 3. Sep 18, 2017 · Toluene: Toluene is an organic compound having a benzene ring attached to a methyl group. P. Toluene-D3. C 7 H 8. J/mol*K: N/A: Wojtyniak and Stone, 1986 CAS: 108-88-3 Molecular Formula: C7H8 Molecular Weight (g/mol): 92. The molecular formula of toluene is C 7 H 8 Molecular Weight Example. Toluene is liquid at standard conditions, with a characteristic sweet, solvent-like smell. Elements: Carbon (C) , Hydrogen (H) Molecular weight: 92. The density of toluene is 0. (1,4) The vapor pressure for toluene is 28. Methods. 08°F or 383. NIOSH REL TWA 100 ppm (375 mg/m 3) ST 150 ppm (560 mg/m 3) OSHA PEL TWA 200 ppm C 300 ppm 500 ppm (10-minute maximum peak) See Appendix G Nov 21, 2023 · The toluene molecular formula is {eq}C_7H_8 {/eq}. We investigated with atomistic simulations [1] the swelling of low-molecular-weight polystyrene induced by toluene, a solvent for polystyrene. Jun 2, 2022 · Chemicals. C6H5CH3. Boiling Point: 110-111 C. Chemical Characteristics. +50. Vapors may cause drowsiness and dizziness. Prepare 3 different concentrations of the polystyrene molecular weight standard in toluene by accurately weighing appropriate amounts of powder and toluene into the cuvettes and stopper them to prevent any solvent evaporation. Multiply the number of atoms by the atomic weight of each element found in steps 1 and 2 to get the mass of each element in CH2C6H6: Molar Mass (g/mol) C (Carbon) 7 × 12. 17 g/ mol. Boiling Point (BP), Toluene changes its state from liquid to gas at 110. 25%, H 8. Chemical structure: TLV–TWA, 20 ppm. The Toluene. Please see the following for information about the library and its accompanying search program. IUPAC Standard InChIKey: YXFVVABEGXRONW-UHFFFAOYSA-N Copy CAS Registry Number: 108-88-3 Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file Toluene (C H CH CAS 108-88-3; UN 1294. Oct 24, 2023 · Tolulene diisocyanates (TDI) and related compounds are generally high production volume chemicals, meaning they are produced or imported in to the United States in quantities of 100 million pounds or more each year. We observe two concurrent phenomena taking place: (1) the solvent diffuses into the polymer by a Case II mechanism, Jul 5, 2024 · Pure toluene (melting point, -95° C [-139° F]; boiling point, 110. This structure is what gives toluene its unique chemical properties. Odor. It has a slight specific odor and evaporates at room temperature, making it easily spreads in the air. 141 g/mol. It is closely related to benzene but due to its much lower toxicity it is often used as an alternative to benzene. 1° F]) is a colourless, flammable, toxic liquid, insoluble in water but soluble in all common organic solvents. 0749. 1 CCl 4 110 Weak C-C1 Bond CH 3 Surface tension of semidilute solutions of PDMS in toluene vs the monomer volume fraction, f b , for several different MW. As toluene is an aromatic compound, it is less susceptible to an oxidation reaction. toluene Molecular Model Apr 13, 2023 · Solubility and Density. Density: 0. Toluene-d8 is a deuterated compound, a methylbenzene, a member of toluenes and a volatile organic compound. 11 g/mol. 2 (PubChem release 2021. Appearance: Colorless liquid. 865 g/mL at 25 C. Toluene is miscible with many organic solvents, like alcohols and esters. Benzene is a colorless liquid with a sweet aroma, while toluene is also a colorless liquid but has a distinct smell similar to paint thinner. of formation Δ fH o gas. Standard molar entropy. 288 cm³/mol. 5. 155. These chemicals are predominantly used in the production of polyurethanes and consumer products, such as coatings, elastomers The chemical formula for toluene is C H CH , and its molecular weight is 92. 2012: Color: Colorless: Haynes et al. , 1986 DANGER! Emergency Overview Flammable liquid and vapor. It is easier to weigh toluene and use its density value of 0. 1°C and a melting point of 5. or. Toluene Laboratory Reagent, ≥99. To view TLV and Documentation, you must be logged in as an ACGIH member Product Name: Toluene, anhydrous, 99. It is used as an additive in gasoline and improves octane ratings, as a fullerene indicator, in paint thinners and silicone sealants, as a coolant in sodium cold traps used in nuclear reactor system loops and as a fuel for both two-stroke and four-stroke engines. Molecular Weight. Oxidation of Toluene. 190. Modify: 2024-07-13. ChemSpider ID 13835351. Toluene is an aromatic hydrocarbon with narcotic and neurotoxic effects and, like all inhalants, has the potential to induce addiction Feb 16, 2002 · Second and third virial coefficients (A2 and A3) for six polystyrene fractions ranging in weight-average molecular weight (Mw) from 2 × 104 to 3 × 106 in cyclohexane were determined by light Finally, add together the total mass of each element to get the molar mass of C6H5CH3: 84. Description. K2 CAS Number: 108-88-3 IUPAC Name: toluene Molecular Formula: C7H8 Molecular Weight: 92. It is less dense than water, with a density of 0. 06352. 3%; CAS Number: 108-88-3; EC Number: 203-625-9; Linear Formula: C6H5CH3; find Sigma-Aldrich-179965 MSDS, related Sep 15, 2022 · Physical. 1384; , The rate-energy functions for the formation of tropylium and benzylium ions from toluene molecular cations The chemical formula for toluene is C H CH , and its molecular weight is 92. 2. To find the mole fraction and percentage of each element in C6H5CH3, divide each total from step 3 by the total molar mass found in step 4: Mole Fraction. [1] [2] [3] Jan 11, 2024 · Toluene is a simple benzene derivative also known as methylbenzene, phenylmethane, or toluol. The TLV for toluene was established to protect Reactivity Profile. It was interestingly noted that highly unsaturated products with large molecular weight could be generated during the toluene photochemical reaction. Xylenes are also similar to toluene and are Molecular weight: 92. 10. The chemical formula for toluene is C H CH , and its molecular weight is 92. zy aa re gi yj rr jz bk if ys