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Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | white solid (est) |
| Assay: | 95.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.83800 @ 25.00 °C.
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| Melting Point: | 78.00 to 79.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 196.00 to 198.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.696000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 165.00 °F. TCC ( 73.89 °C. )
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| logP (o/w): | 4.000 |
| Soluble in: |
| | alcohol | | | water, 33.94 mg/L @ 25 °C (est) | | | water, 3.48 mg/L @ 25 °C (exp) |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
| EMD Millipore |
| For experimental / research use only. |
| 1,2,4,5-Tetramethylbenzene
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| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 1,2,4,5-Tetramethylbenzene
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| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 1,2,4,5-Tetramethylbenzene 98%
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| TCI AMERICA |
| For experimental / research use only. |
| 1,2,4,5-Tetramethylbenzene >98.0%(GC)
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Safety Information:
| Preferred SDS: View |
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| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
oral-rat LD50 6989 mg/kg
BLOOD: HEMORRHAGE
SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Drug and Chemical Toxicology. Vol. 1, Pg. 219, 1978.
intravenous-mouse LD50 180 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00212
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | | natural substances and extractives |
| Recommendation for durene usage levels up to: | | | not for fragrance use.
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| Recommendation for durene flavor usage levels up to: |
| | not for flavor use.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 2,5- | dimethyl-p-xylene | | | durol | | 1,2,4,5- | tetramethyl benzene | | 1,2,4,5- | tetramethylbenzene | | p- | xylene, 2,5-dimethyl- (7CI) |
Articles:
| 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. |
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3D/inchi