p-xylene, 2,5-dimethyl- (7CI)

CAS: 95-93-2 C10 H14 MW: 134.22158000

Identification

Namedurene
IUPAC1,2,4,5-tetramethylbenzene
CAS Number95-93-2
EINECS202-465-7
FDA UNII181426CFYB
Molecular FormulaC10 H14
Molecular Weight134.22158000
MDL NumberMFCD00008528
Nikkaji NumberJ4.714G
Beilstein1903393
XlogP34.00 (est)

Regulatory

Physical Properties

Appearance white solid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.83800 @ 25.00 °C.
Melting Point 78.00 to 79.00 °C. @ 760.00 mm Hg
Boiling Point 196.00 to 198.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.696000 mmHg @ 25.00 °C. (est)
Flash Point 165.00 °F. TCC ( 73.89 °C. )
logP (o/w) 4.000
Soluble in alcohol

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral Toxicityoral-rat LD50 6989 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00212']

Safety in Use

Categorynatural substances and extractives
Recommendation for durene usage levels up tonot for fragrance use.
Recommendation for durene flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

found in nature

Synonyms

2,5- dimethyl-p-xylene durol 1,2,4,5- tetramethyl benzene 1,2,4,5- tetramethylbenzene p- xylene, 2,5-dimethyl- (7CI) PubMed: Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2,3,4,5,6-penta bromo toluene and bromo durene based on density functional calculations. PubMed: Dephenolization, dearomatization and detoxification of olive mill wastewater with sonication combined with additives and radical scavengers. PubMed: Photochemical oxidation of a manganese(III) complex with oxygen and toluene derivatives to form a manganese(V)-oxo complex. PubMed: Rate constants for the reactions of OH radicals with 1,2,4,5-tetramethylbenzene, pentamethylbenzene, 2,4,5-trimethylbenzaldehyde, 2,4,5-trimethylphenol, and 3-methyl-3-hexene-2,5-dione and products of OH + 1,2,4,5-tetramethylbenzene. PubMed: Chlorido[2,3,5,6-tetra-kis-(tert-butyl-sulfanylmeth-yl)phenyl-κ(3) S (2),C (1),S (6)]palladium(II) dichloro-methane monosolvate. PubMed: Iodo-durene. PubMed: Modified corrections for London forces in solid-state density functional theory calculations of structure and lattice dynamics of molecular crystals. PubMed: Near infrared luminescence of gold nanoclusters affected by the bonding of 1,4-dithiolate durene and monothiolate phenylethanethiolate. PubMed: Mixed dithiolate durene-DT and monothiolate phenylethanethiolate protected Au130 nanoparticles with discrete core and core-ligand energy states. PubMed: Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(II) complexes. PubMed: Polymethylated [Fe(η6-arene)2]2+ dications: methyl-group rearrangements and application of the EINS mechanism. PubMed: The effects of photochemical and mechanical damage on the excited state dynamics of charge-transfer molecular crystals composed of tetracyanobenzene and aromatic donor molecules. PubMed: Validation of a gas chromatographic method to quantify sesquiterpenes in copaiba oils. PubMed: Systematic method for the incorporation of the {(eta(6)-arene)Fe} fragment into carborane cages via [(eta(6)-arene)Fe]2+ dications. A series of [3-(eta(6)-arene)-closo-3,1,2-FeC2B9H11] complexes. Reliable synthesis of polymethylated [(eta(6)-arene)2Fe]2+ cations. PubMed: Solvation of dichlorocarbene: complexation with aryl ethers. PubMed: Optical resolution, absolute configuration, and chiroptical properties of three-layered [3.3]paracyclophane. PubMed: The basicity of unsaturated hydrocarbons as probed by hydrogen-bond-acceptor ability: bifurcated N-H+ ...pi hydrogen bonding. PubMed: Synthesis and "in Vitro" Trypanocidal Activity Evaluation of Some Organo-iron Compounds. PubMed: 2-(2,3,5,6-Tetra-methyl-benzyl-sulfan-yl)pyridine N-oxide. PubMed: Physiologically-based toxicokinetic modeling of durene (1,2,3,5-tetramethylbenzene) and isodurene (1,2,4,5-tetramethylbenzene) in humans. PubMed: Observation of vibronic emission spectrum of jet-cooled duryl radical in corona excitation. PubMed: Remarkable effect of water on functionalization of the phenyl ring in methyl-substituted benzene derivatives with F-TEDA-BF4. PubMed: Studies of the inner reorganization energies of the cation radicals of 1,4-bis(dimethylamino)benzene, 9,10-bis(dimethylamino)anthracene, and 3,6-bis(dimethylamino)durene by photoelectron spectroscopy and reinterpretation of the mechanism of the electrochemical oxidation of the parent diamines. PubMed: Low frequency internal modes of 1,2,4,5-tetramethylbenzene, tetramethylpyrazine and tetramethyl-1,4-benzoquinone INS, Raman, infrared and theoretical DFT studies. PubMed: Multipoint recognition of catecholamines by hydrindacene-based receptors accompanied by the complexation-induced conformational switching. PubMed: Azolium-linked cyclophanes: a comprehensive examination of conformations by 1H NMR spectroscopy and structural studies. PubMed: The nature of the rapid relaxation of excited charge-transfer complexes. PubMed: Elevated-temperature metathesis syntheses of structurally novel alkali-metal tetrakis(3,5-di-tert-butylpyrazolato)lanthanoidate(III) complexes: toluene-coordinated discrete bimetallic complexes and supramolecular chains. PubMed: Theoretical study of the methylbenzene side-chain hydrocarbon pool mechanism in methanol to olefin catalysis. PubMed: Conformational studies by dynamic NMR. 94.1 cogwheel pathway for the stereomutations of durene derivatives containing the mesityl ring. PubMed: Helical self-assembly of substituted benzoic acids: influence of weaker X...X and C-H...X interactions. PubMed: Indirect NMR detection in solids with multiple cross-polarization periods. PubMed: [Microsomal monooxygenases upon inhalation exposure to pseudocumene and durene]. PubMed: Study of the formation equilibria of electron donor-acceptor complexes between [60]fullerene and methylbenzenes by absorption spectrometric method. PubMed: Hydrogen bonding NH/pi interactions between betacarboline and methyl benzene derivatives. PubMed: The pi complexation of alkali and alkaline earth ions by the use of meso-octaalkylporphyrinogen and aromatic hydrocarbons. PubMed: The disposition and metabolism of durene (1,2,4,5-tetramethylbenzene) in rats. PubMed: Absorption spectroscopic study of EDA complexes of. PubMed: [The hygienic evaluation of 1,2,4,5-tetramethylbenzene via inhalation body uptake]. PubMed: Genotoxicity evaluation of tetramethylbenzenes. PubMed: MAS NMR studies of carbon-13 spin exchange in durene. PubMed: Toxic effects of acute inhalation exposure to 1,2,4,5-tetramethylbenzene (durene) in experimental animals. PubMed: [Changes in biochemical parameters of erythrocytes in workers engaged in pyromellitic dianhydride production]. PubMed: New Aspects of Spin Diffusion and Cross Relaxation in Solid-State NMR PubMed: Conformational Studies by Dynamic NMR. 57.(1) Stereodynamics of Syn-Anti Interconversion of Disubstituted Acyl Durenes. PubMed: The use of differential transverse relaxation to detect mobile species in solids. PubMed: [Evaluation of occupational exposure to aromatic polycyclic hydrocarbons in bituminous pulp plants]. PubMed: Durene-capped porphyrin complexes of iron(II). Binding of imidazoles, and spectroscopic trends within Fe(porp)B(L) species (B = imidazole base; L = RNC, CO, O2). PubMed: [Durene derivates. IV. N-((2,3,5,6-tetramethylbenzoyl)alkyl)imidazoles and N-((beta-(2,3,5,6-tetramethylphenyl)-beta-hydroxy)ethyl)imidazoles with anticonvulsant activity]. PubMed: Research on durene derivatives. Note I - hypertensive activity of 2-(2,3,5,6-tetramethylbenzyl)imidazoline and related compounds. PubMed: [Recent research on durene derivatives. III. New ammonium salts with disinfectant activity]. PubMed: [Recent studies on durene derivatives. II.-Ethers and acid thioethers]. PubMed: Acute toxicity of tetramethylbenzenes: durene, isodurene and prehnitene. PubMed: Molecular-weight fractionation of polystyrene by zone-melting chromatography.