EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

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

Supplier Sponsors

Name:1,2,4,5-tetramethylbenzene
CAS Number: 95-93-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-465-7
FDA UNII:181426CFYB
Nikkaji Web:J4.714G
Beilstein Number:1903393
MDL:MFCD00008528
XlogP3:4.00 (est)
Molecular Weight:134.22158000
Formula:C10 H14
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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 mm/Hg @ 25.00 °C. (est)
Flash Point: 165.00 °F. TCC ( 73.89 °C. )
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 Description:rancid sweet
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
EMD Millipore
For experimental / research use only.
1,2,4,5-Tetramethylbenzene
Santa Cruz Biotechnology
For experimental / research use only.
1,2,4,5-Tetramethylbenzene
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,2,4,5-Tetramethylbenzene 98%
TCI AMERICA
For experimental / research use only.
1,2,4,5-Tetramethylbenzene >98.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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
 
Pictogram
 
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

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: natural substances and extractives
Recommendation for durene usage levels up to:
 not for fragrance use.
 
Recommendation for durene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
Toxicology Citations:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):95-93-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7269
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1325
WGK Germany:1
1,2,4,5-tetramethylbenzene
Chemidplus:0000095932
EPA/NOAA CAMEO:hazardous materials
RTECS:DC0500000 for cas# 95-93-2
 
References:
 1,2,4,5-tetramethylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:95-93-2
Pubchem (cid):7269
Pubchem (sid):134972202
Flavornet:95-93-2
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C14534
HMDB (The Human Metabolome Database):Search
FooDB:FDB029672
Export Tariff Code:2902.90.3050
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 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)
 

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.
 
Notes:
Flavouring compound [Flavornet]
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