{"Abbreviation":[],"Aliases":["1,2,4-Trimethylbenzene","Pseudocumol","Psi-cumene","as-Trimethylbenzene","1,3,4-Trimethylbenzene","Benzene, 1,2,4-trimethyl-","Uns-trimethylbenzene","1,2,5-Trimethylbenzene","Asymmetrical trimethylbenzene","1,2,4-trimethyl-benzene","Benzene, 1,2,5-trimethyl-","Methyl-p-xylene","Assymetrical trimethylbenzene","PSICUMENE","202-436-9",".psi.-Cumene","pseudo-cumene","1,2,4-Trimethyl benzene","Cas-95-63-6","1,2,4-Trimethylbenzene, analytical standard","pseudo cumene","AI3-03976","CCRIS 8146","1,4-Trimethylbenzene","Psuedo-cumene"],"Biological Half-Life":"... Ten healthy male volunteers were exposed to trimethylbenzene (TMB) vapor in an exposure chamber for 2 hr at a work load of 50 W. The subjects were exposed on four occasions, to 25 ppm of 1,2,4-TMB, 1,2,3-TMB, and 1,3,5-TMB, respectively, and 2 ppm of 1,2,4-TMB. Urine was collected from the onset of exposure until the following morning. All six possible dimethylhippuric acid (DMHA) isomers were analyzed by high-performance liquid chromatography. ...  The half-times of the different DMHA isomers ranged from 4 to 16 hr.","Boiling Point":"334.4 °","CAS":"95-63-6","ChEBI":"CHEBI:34039","ChEMBL":"CHEMBL1797280","ChemicalClasses":["alkylbenzene"],"Chirality":"achiral","Color/Form":"Clear, colorless liquid","Density":"0.889 (USCG, 1999) - Less dense than water; will float g/cm\u003csup\u003e3\u003c/sup\u003e","EINECS":"202-436-9","Erowid Experience Reports":[],"Esters":[],"European Community (EC) Number":"202-436-9","Flash Point":"111 °F (USCG, 1999)","Formating":[],"HMDB ID":"HMDB0013733","HeavyAtomCount":9,"IUPACName":"1,2,4-trimethylbenzene","InChI":"InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3","InChIKey":"GWHJZXXIDMPWGX-UHFFFAOYSA-N","Melting Point":"-47.2 °F (USCG, 1999)","MolecularFormula":"C\u003csub\u003e9\u003c/sub\u003eH\u003csub\u003e12\u003c/sub\u003e","MolecularWeight":"120.19 g/mol","Odor":"Distinctive, aromatic odor","Physical Description":"1,2,4-trimethylbenzene appears as a liquid. Flash point near 130 °F. Less dense than water and insoluble in water. Vapors irritate eyes, throat, and nose. Used in dyes and pharmaceuticals.","PubChemId":7247,"RefCount":2,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Lisuride","Name":"Pseudocumene","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/7247","Name":"Pseudocumene","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1797280","Name":"Pseudocumene","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34039","Name":"Pseudocumene","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=95-63-6","Name":"Pseudocumene","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0013733","Name":"Pseudocumene","Sub":false}]},{"Name":"KEGG","Urls":[{"Link":"https://www.kegg.jp/entry/C14533","Name":"Pseudocumene","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/34X0W8052F","Name":"Pseudocumene","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021402","Name":"Pseudocumene","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 7247, Pseudocumene. Accessed July 27, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/7247\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/7247\u003c/a\u003e"],"SMILES":"CC1=CC(=C(C=C1)C)C","SaltData":[],"Salts":[],"Solubility":"0.006 % (NIOSH, 2024)","StereoisomerData":[],"Stereoisomers":[],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 54.875 32.573\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h55v33H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m53.837 1.047-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M40.639 8.667 27.436 1.038M38.201 10.074l-10.766-6.22\"/\u003e\u003c/g\u003e\u003cpath d=\"m27.436 1.038-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m14.238 8.658.004 15.249M16.676 10.066l.004 12.433\"/\u003e\u003c/g\u003e\u003cpath d=\"m14.242 23.907 13.204 7.628\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m27.446 31.535 13.198-7.62M27.446 28.719l10.759-6.211\"/\u003e\u003c/g\u003e\u003cpath d=\"m40.639 8.667.005 15.248M14.242 23.907l-13.198 7.62M14.238 8.658 1.038 1.04\" class=\"bond\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Pseudocumene","UNII":"34X0W8052F","Wikipedia":"Lisuride","XLogP":3}