{"Abbreviation":[],"Aliases":["Isopropylbenzene","2-Phenylpropane","(1-Methylethyl)benzene","Benzene, (1-methylethyl)-","Cumol","Isopropylbenzol","Cumeen","Isopropilbenzene","Isopropylbenzeen","2-Fenilpropano","2-Fenyl-propaan","Isopropyl-benzol","Benzene, isopropyl","Propan-2-ylbenzene","Propane, 2-phenyl","(propan-2-yl)benzene","RCRA waste number U055","Phenol bottoms","Isopropyl benzene","2-Phenyl propane","202-704-5","i-propylbenzene","(Methylethyl)benzene","Isopropylbenzen","Benzene, isopropyl-"],"Biological Half-Life":"Groups of Fischer 344 rats (minimum 4/sex/group) were studied after being exposed to radiolabeled cumene (\u003e98% purity) either by single intravenous dose (35 mg/kg); single oral gavage doses (33 or 1,350 mg/kg); single 6-hr nose-only inhalation (100, 500, or 1,500 ppm); or eight daily oral gavage doses (33 mg/kg), with the eighth dose being radiolabeled. ... Elimination of cumene from the blood appeared as monoexponential with a half-life calculated between 9 to 16 hr for the gavage doses. The pattern of cumene disappearance from the blood in the inhalation studies also appeared to be monoexponential with the half-lives increasing with dose, from 3.9 hr at 100 ppm, to 4.6 hr at 500 ppm, to 6.6 hr at 1,200 ppm.","Boiling Point":"306.3 °","CAS":"98-82-8","ChEBI":"CHEBI:34656","ChEMBL":"CHEMBL1398949","ChemicalClasses":["alkylbenzene"],"Chirality":"achiral","Color/Form":"Colorless liquid","Decomposition":"Hazardous decomposition products: Toxic gases and vapors (such as carbon monoxide) may be released.","Density":"0.866 at 59 °F (USCG, 1999) - Less dense than water; will float g/cm\u003csup\u003e3\u003c/sup\u003e","EINECS":"202-704-5","Erowid Experience Reports":[],"Esters":[],"European Community (EC) Number":"202-704-5","Flash Point":"96 °F (USCG, 1999)","Formating":[],"HMDB ID":"HMDB0034029","HeavyAtomCount":9,"IUPACName":"cumene","InChI":"InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3","InChIKey":"RWGFKTVRMDUZSP-UHFFFAOYSA-N","Melting Point":"-140.9 °F (USCG, 1999)","MolecularFormula":"C\u003csub\u003e9\u003c/sub\u003eH\u003csub\u003e12\u003c/sub\u003e","MolecularWeight":"120.19 g/mol","Odor":"Gasoline-like odor","Physical Description":"Cumene appears as a clear colorless liquid with an aromatic odor. Less dense than water and insoluble in water. Vapors heavier than air. May be moderately toxic by inhalation, ingestion and skin absorption.","PubChemId":7406,"RefCount":2,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Cumene","Name":"Cumene","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/7406","Name":"Cumene","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1398949","Name":"Cumene","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34656","Name":"Cumene","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=98-82-8","Name":"Cumene","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0034029","Name":"Cumene","Sub":false}]},{"Name":"KEGG","Urls":[{"Link":"https://www.kegg.jp/entry/C14396","Name":"Cumene","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/8Q54S3XE7K","Name":"Cumene","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021827","Name":"Cumene","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 7406, Cumene. Accessed August 1, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/7406\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/7406\u003c/a\u003e"],"SMILES":"CC(C)C1=CC=CC=C1","SaltData":[],"Salts":[],"Solubility":"Insoluble (NIOSH, 2024)","Stability/Shelf Life":"Volatile","StereoisomerData":[],"Stereoisomers":[],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 54.874 47.677\"\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 0h55v48H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m53.836 23.77-13.198-7.62M40.638 16.15V.91M40.638 16.15 27.44 23.77\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m27.44 23.77-13.204-7.628M25.002 25.178l-10.766-6.221\"/\u003e\u003c/g\u003e\u003cpath d=\"m14.236 16.142-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m1.038 23.762.005 15.248M3.477 25.169l.004 12.433\"/\u003e\u003c/g\u003e\u003cpath d=\"m1.043 39.01 13.203 7.629\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m14.246 46.639 13.198-7.62M14.247 43.823l10.759-6.212\"/\u003e\u003c/g\u003e\u003cpath d=\"m27.44 23.77.004 15.249\" class=\"bond\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Cumene","UNII":"8Q54S3XE7K","Wikipedia":"Cumene","XLogP":3.7}