1.02010-04-08 22:06:51 UTC2020-09-17 15:35:39 UTCFDB0058201,4-Dimethylbenzenep-Xylene, also known as para-xylene or p-methyltoluene, compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene which is substituted by a variable number of methyl groups in different positions. As such, p-xylene is a monocyclic benzene carrying two methyl groups at positions 1 and 4. p-Xylene occurs naturally in petroleum and coal tar. It is a constitutional isomer of m-xylene and o-xylene, the mixture being called xylene or xylenes. It is emitted by most combustion sources, including automobile exhaust and tobacco smoke. p-Xylene is a colorless, slightly oily flammable liquid. p-Xylene has been detected, but not quantified in, several different foods, such as pepper (C. annuum), green bell peppers, parsley, yellow bell peppers, and red bell peppers. This could make p-xylene a potential biomarker for the consumption of these foods. p-Xylene is a potentially toxic compound. Inhaling p-xylene can cause dizziness, headache, drowsiness, and nausea. If p-xylene is ingested one's mouth should be rinsed, and vomiting should not be induced. p-Xylene can cause issues with the central nervous system and if swallowed could cause chemical pneumonitis when breathed into the lungs. It is a component in the production of terephthalic acid for polyesters such as polyethylene terephthalate (generally known as PET).1, 4-Xylene1,4-dimethyl-benzene ( p-xylene)1,4-Xylene4-Methyltoluene4-XyleneBenzene, 1,4-dimethyl-Benzene, p-dimethyl-ChromarP-dimethylbenzenep-Xylene [UN1307] [Flammable liquid]p-XYLENE- D10P-xylolPara-xylenePXYScintillarXylene, p-Xylene, p-isomerC8H10106.165106.078250321,4-xylenepara-xylene106-42-3CC1=CC=C(C)C=C1InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3URLKBWYHVLBVBO-UHFFFAOYSA-N belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.p-XylenesOrganic compoundsBenzenoidsBenzene and substituted derivativesXylenesAromatic homomonocyclic compoundsAromatic hydrocarbonsUnsaturated hydrocarbonsAromatic homomonocyclic compoundAromatic hydrocarbonHydrocarbonP-xyleneUnsaturated hydrocarbonan aromatic compoundxyleneliquidlogp3.15logs-2.72solubility2.01e-01 g/lmelting_point13.25 oClogp3iupac1,4-xyleneaverage_mass106.165mono_mass106.07825032smilesCC1=CC=C(C)C=C1formulaC8H10inchiInChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3inchikeyURLKBWYHVLBVBO-UHFFFAOYSA-Npolar_surface_area0refractivity36.14polarizability13.12rotatable_bond_count0acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::NmrOneD2088Specdb::NmrOneD2782Specdb::EiMs386Specdb::CMs26793Specdb::CMs27058Specdb::CMs29991Specdb::CMs35572Specdb::CMs102418Specdb::CMs102419Specdb::CMs102420Specdb::CMs131312Specdb::CMs139046Specdb::MsMs61749Specdb::MsMs61750Specdb::MsMs61751Specdb::MsMs118341Specdb::MsMs118342Specdb::MsMs118343Specdb::MsMs3223993Specdb::MsMs3223994Specdb::MsMs3223995Specdb::MsMs3223996Specdb::MsMs3223997Specdb::MsMs3223998Black walnutType 1specificJuglans nigra16719300.0300.0300.0mg/100 gBlackberryType 1specificRubusCauliflowerType 1specificBrassica oleracea var. botrytis3715CornType 1specificZea mays4577Evergreen blackberryType 1specificRubus laciniatusGreen bell pepperType 1specificCapsicum annuum4072Orange bell pepperType 1specificCapsicum annuum4072ParsleyType 1specificPetroselinum crispum4043PepperType 1specificCapsicum annuum4072Pepper (C. frutescens)Type 1specificCapsicum annuum var. annuum40321Red bell pepperType 1specificCapsicum annuum4072Sweet cherryType 1specificPrunus avium42229Yellow bell pepperType 1specificCapsicum annuum4072