{"Abbreviation":[],"Aliases":["Phenylethane","Benzene, ethyl-","Ethylbenzol","Ethyl benzene","Aethylbenzol","Ethylenzene","Ethylbenzeen","Etilbenzene","Etylobenzen","α-Methyltoluene","NCI-C56393","202-849-4","1-ethylbenzene","Ethyl-benzene","EB","20302-26-5","CCRIS 916","UN1175","etph","1-phenylethane","AI3-09057","PYJ","Ethylbenzene Standard","Ethylbenzene [UN1175] ","Ec 202-849-4"],"Biological Half-Life":"Whole body: biphasic with initial of 3.1 hours and slower phase of 25 hours; [TDR, p. 631]","Boiling Point":"277.2 °","CAS":"100-41-4","ChEBI":"CHEBI:16101","ChEMBL":"CHEMBL371561","ChemicalClasses":["alkylbenzene"],"Chirality":"achiral","Classes":["Pesticide","Genotoxin"],"Color/Form":"Colorless liquid","Decomposition":"Hazardous decomposition products formed under fire conditions - Carbon oxides.","Density":"0.867 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm\u003csup\u003e3\u003c/sup\u003e","EINECS":"202-849-4","Erowid Experience Reports":[],"Esters":[],"European Community (EC) Number":"202-849-4","Flash Point":"59 °F (NTP, 1992)","Formating":[],"HMDB ID":"HMDB0059905","HeavyAtomCount":8,"IUPACName":"ethylbenzene","InChI":"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3","InChIKey":"YNQLUTRBYVCPMQ-UHFFFAOYSA-N","Melting Point":"-139 °F (NTP, 1992)","MolecularFormula":"C\u003csub\u003e8\u003c/sub\u003eH\u003csub\u003e10\u003c/sub\u003e","MolecularWeight":"106.16 g/mol","Odor":"Aromatic odor","Physical Description":"Ethylbenzene appears as a clear colorless liquid with an aromatic odor. Flash point 59 °F. Less dense than water (at 7.2 lb / gal) and insoluble in water. Hence floats on water. Vapors heavier than air. Used as a solvent and to make other chemicals.","PubChemId":7500,"RefCount":2,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Ethylbenzene","Name":"Ethylbenzene","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/7500","Name":"Ethylbenzene","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL371561","Name":"Ethylbenzene","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16101","Name":"Ethylbenzene","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=100-41-4","Name":"Ethylbenzene","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0059905","Name":"Ethylbenzene","Sub":false}]},{"Name":"KEGG","Urls":[{"Link":"https://www.kegg.jp/entry/C07111","Name":"Ethylbenzene","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/L5I45M5G0O","Name":"Ethylbenzene","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020596","Name":"Ethylbenzene","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 7500, Ethylbenzene. Accessed July 27, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/7500\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/7500\u003c/a\u003e"],"SMILES":"CCC1=CC=CC=C1","SaltData":[],"Salts":[],"Solubility":"less than 1 mg/mL at 73 °F (NTP, 1992)","Stability/Shelf Life":"Stable under recommended storage conditions.","StereoisomerData":[],"Stereoisomers":[],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 54.845 32.556\"\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=\"M53.807 8.662 40.616 1.047M40.616 1.047 27.425 8.662\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M27.425 8.662 14.229 1.038M24.987 10.07 14.229 3.854\"/\u003e\u003c/g\u003e\u003cpath d=\"M14.229 1.038 1.038 8.654\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m1.038 8.654.005 15.24M3.477 10.062l.004 12.424\"/\u003e\u003c/g\u003e\u003cpath d=\"m1.043 23.894 13.196 7.624\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m14.239 31.518 13.191-7.616M14.239 28.702l10.752-6.207\"/\u003e\u003c/g\u003e\u003cpath d=\"m27.425 8.662.005 15.24\" class=\"bond\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Subjective Effects":null,"Title":"Ethylbenzene","UNII":"L5I45M5G0O","Wikipedia":"Ethylbenzene","XLogP":3.1}