{"Abbreviation":[],"Adverse Effects":"Neurotoxin - Acute solvent syndrome","Aliases":["methylbenzene","toluol","Phenylmethane","Benzene, methyl-","methacide","methylbenzol","antisal 1a","Toluen","tolu-sol","monomethyl benzene","Methane, phenyl-","Tolueen","Toluolo","phenyl methane","1-Methylbenzene","RCRA waste number U220","Tolueno","methyl benzene","Caswell No. 859","NCI-C07272","CP 25","EPA Pesticide Chemical Code 080601","Methyl benzol","203-625-9","946-198-0"],"Associated Disorders and Diseases":"Infertility, female [Category: Reproduction and Development]","Biological Half-Life":"Blood: 0.5 hours (can range up to 90 hours depending upon fat deposition); for hippuric acid in urine: 1.5 hours; [TDR, p. 1145]","Boiling Point":"231.1 °","CAS":"108-88-3","ChEBI":"CHEBI:17578","ChEMBL":"CHEMBL9113","ChemicalClasses":["alkylbenzene"],"Chirality":"achiral","Classes":["Dissociative","N-Methyl-D-aspartic acid receptor antagonist","Antinicotinic"],"Color/Form":"Colorless liquid","Decomposition":"Can react vigorously with oxidizing materials.","Density":"0.867 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm\u003csup\u003e3\u003c/sup\u003e","Drug Indication":"Used for the removal of ascarids (Toxocara canis and Toxascaris leonina) and hookworms (Ancylostoma caninum and Uncinaria stenocephala) and as an aid in removing tapeworms (Taenia pisiformis, Dipylidium caninum, and Echinococcus granulosus) from dogs and cats.","EINECS":"203-625-9","Ecotoxicity Values":"EC50; Species: Scenedesmus subspicatus (Green Algae) Exponential Growth Phase; Conditions: freshwater, static, 24 °C, pH 8.0-9.3; Concentration: 160000 ug/L for 48 hr; Effect: population, decreased biomass /formulation/","Erowid Experience Reports":[{"Author":"Zarko","Id":"115360","Title":"A Very Eerie Sensation of Uncertainty"},{"Author":"LakeShadow","Id":"9236","Title":"Tolly Wopped"}],"Esters":[],"European Community (EC) Number":"203-625-9","Flash Point":"40 °F (NTP, 1992)","Formating":[],"HMDB ID":"HMDB0034168","Health Effects":"Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved.  Accumulation of ACh at motor nerves causes overstimulation of nicotinic expression at the neuromuscular junction. When this occurs symptoms such as muscle weakness, fatigue, muscle cramps, fasciculation, and paralysis can be seen. When there is an accumulation of ACh at autonomic ganglia this causes overstimulation of nicotinic expression in the sympathetic system. Symptoms associated with this are hypertension, and hypoglycemia. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. When there is expression of muscarinic overstimulation due to excess acetylcholine at muscarinic acetylcholine receptors symptoms of visual disturbances, tightness in chest, wheezing due to bronchoconstriction, increased bronchial secretions, increased salivation, lacrimation, sweating, peristalsis, and urination can occur.  Certain reproductive effects in fertility, growth, and development for males and females have been linked specifically to organophosphate pesticide exposure. Most of the research on reproductive effects has been conducted on farmers working with pesticides and insecticdes in rural areas. In females menstrual cycle disturbances, longer pregnancies, spontaneous abortions, stillbirths, and some developmental effects in offspring have been linked to organophosphate pesticide exposure. Prenatal exposure has been linked to impaired fetal growth and development. Neurotoxic effects have also been linked to poisoning with OP pesticides causing four neurotoxic effects in humans: cholinergic syndrome, intermediate syndrome, organophosphate-induced delayed polyneuropathy (OPIDP), and chronic organophosphate-induced neuropsychiatric disorder (COPIND). These syndromes result after acute and chronic exposure to OP pesticides.","HeavyAtomCount":7,"Human Toxicity Values":"Ingestion of approximately 60 mL (625 mg/kg) of toluene proved fatal for a white male mental patient.","IUPACName":"toluene","InChI":"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChIKey":"YXFVVABEGXRONW-UHFFFAOYSA-N","Interactions":"The exposure intensity during a shift and the metabolite levels in the shift-end urine were examined in male workers exposed to either benzene (65 subjects; the benzene group), toluene (35 subjects; the toluene group), or a mixture of both (55 subjects; the mixture group). In addition, 35 non-exposed male workers (the control group) were similarly examined for urinary metabolites to define background levels. A linear relationship was established between the intensity of solvent exposure and the corresponding urinary metabolite levels (i.e. phenol, catechol and quinol from benzene, and hippuric acid and o-cresol from toluene) in each case when one of the three exposed groups was combined with the control group for calculation. Comparison of regression lines in combination with regression analysis disclosed that urinary levels of phenol and quinol (but not catechol) were lower in the mixture group than in the benzene group when the intensities of exposure to benzene were comparable, indicating that the biotransformation of benzene to phenolic compounds (excluding catechol) in man is suppressed by co-exposure to toluene. Conversely, metabolism of toluene to hippuric acid was suppressed by benzene co-exposure. Conversion of toluene to o-cresol was also reduced by benzene, but to a lesser extent. The significance of the present findings on the mutual suppression of metabolism between benzene and toluene is discussed in relation to solvent toxicology and biological monitoring of exposure to the solvents.","LC50":[{"dosages":[{"amount":"49 gm/m3/4H","route":"inhalation"}],"organism":"Rat"},{"dosages":[{"amount":"30 gm/m3","route":"inhalation"}],"organism":"Mammal (species unspecified)"},{"dosages":[{"amount":"400 ppm/24H","route":"inhalation"}],"organism":"Mouse"}],"LD50":[{"dosages":[{"amount":"636 mg/kg","route":"oral"},{"amount":"1960 mg/kg","route":"intravenous"},{"amount":"1332 mg/kg","route":"intraperitoneal"}],"organism":"Rat"},{"dosages":[{"amount":"2250 mg/kg","route":"subcutaneous"},{"amount":"59 mg/kg","route":"intraperitoneal"}],"organism":"Mouse"},{"dosages":[{"amount":"14100 μL/kg","route":"skin"}],"organism":"Rabbit"},{"dosages":[{"amount":"500 mg/kg","route":"intraperitoneal"}],"organism":"Guinea pig"},{"dosages":[{"amount":"4 gm/kg","route":"oral"}],"organism":"Mammal (species unspecified)"}],"LDLo":[{"dosages":[{"amount":"50 mg/kg","route":"oral"}],"organism":"Human"},{"dosages":[{"amount":"130 mg/kg","route":"intravenous"}],"organism":"Rabbit"},{"dosages":[{"amount":"920 mg/kg","route":"subcutaneous"}],"organism":"Frog"},{"dosages":[{"amount":"1750 mg/kg","route":"intraperitoneal"}],"organism":"Mammal (species unspecified)"},{"dosages":[{"amount":"719 μL/kg","route":"oral"}],"organism":"Human - male"}],"MeSH Pharmacological Classification":"Liquids that dissolve other substances (solutes), generally solids, without any change in chemical composition, as, water containing sugar. (Grant \u0026amp; Hackh\u0026apos;s Chemical Dictionary, 5th ed)","Melting Point":"-139 °F (NTP, 1992)","MolecularFormula":"C\u003csub\u003e7\u003c/sub\u003eH\u003csub\u003e8\u003c/sub\u003e","MolecularWeight":"92.14 g/mol","Non-Human Toxicity Values":"LD50 Rat oral 2.6 to 7.5 g/kg","Odor":"Sweet, pungent, benzene-like odor","Physical Description":"Toluene appears as a clear colorless liquid with a characteristic aromatic odor. Flash point 40 °F. Less dense than water (7.2 lb / gal) and insoluble in water. Hence floats on water. Vapors heavier than air. May be toxic by inhalation, ingestion or skin contact. Used in aviation and automotive fuels, as a solvent, and to make other chemicals.","PubChemId":1140,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Toluene","Name":"Toluene","Sub":false}]},{"Name":"DrugBank","Urls":[{"Link":"https://go.drugbank.com/drugs/DB11558","Name":"Toluene","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/1140","Name":"Toluene","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL9113","Name":"Toluene","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17578","Name":"Toluene","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=108-88-3","Name":"Toluene","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0034168","Name":"Toluene","Sub":false}]},{"Name":"KEGG","Urls":[{"Link":"https://www.kegg.jp/entry/C01455","Name":"Toluene","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/3FPU23BG52","Name":"Toluene","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021360","Name":"Toluene","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 1140, Toluene. Accessed August 6, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/1140\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/1140\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Toluene. UNII: 3FPU23BG52. Global Substance Registration System. Accessed August 6, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3FPU23BG52\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/3FPU23BG52\u003c/a\u003e"],"Reported Fatal Dose":"Lethal levels 1.0 mg%; 10.0 ug/ml","SMILES":"CC1=CC=CC=C1","SaltData":[],"Salts":[],"Solubility":"less than 1 mg/mL at 64 °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 41.654 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 0h42v33H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"M40.616 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,"SumLC50":"\u003cstrong\u003eRat:\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- inhalation\u003c/strong\u003e: 49 gm/m3/4H\u003cbr\u003e\u003cstrong\u003eMammal (species unspecified):\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- inhalation\u003c/strong\u003e: 30 gm/m3\u003cbr\u003e\u003cstrong\u003eMouse:\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- inhalation\u003c/strong\u003e: 400 ppm/24H\u003cbr\u003e","SumLD50":"\u003cstrong\u003eRat:\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- oral\u003c/strong\u003e: 636 mg/kg\u003cbr\u003e\u003cstrong\u003e- intravenous\u003c/strong\u003e: 1960 mg/kg\u003cbr\u003e\u003cstrong\u003e- intraperitoneal\u003c/strong\u003e: 1332 mg/kg\u003cbr\u003e\u003cstrong\u003eMouse:\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- subcutaneous\u003c/strong\u003e: 2250 mg/kg\u003cbr\u003e\u003cstrong\u003e- intraperitoneal\u003c/strong\u003e: 59 mg/kg\u003cbr\u003e\u003cstrong\u003eRabbit:\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- skin\u003c/strong\u003e: 14100 μL/kg\u003cbr\u003e\u003cstrong\u003eGuinea pig:\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- intraperitoneal\u003c/strong\u003e: 500 mg/kg\u003cbr\u003e\u003cstrong\u003eMammal (species unspecified):\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- oral\u003c/strong\u003e: 4 gm/kg\u003cbr\u003e","SumLDLo":"\u003cstrong\u003eHuman:\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- oral\u003c/strong\u003e: 50 mg/kg\u003cbr\u003e\u003cstrong\u003eRabbit:\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- intravenous\u003c/strong\u003e: 130 mg/kg\u003cbr\u003e\u003cstrong\u003eFrog:\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- subcutaneous\u003c/strong\u003e: 920 mg/kg\u003cbr\u003e\u003cstrong\u003eMammal (species unspecified):\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- intraperitoneal\u003c/strong\u003e: 1750 mg/kg\u003cbr\u003e\u003cstrong\u003eHuman - male:\u003c/strong\u003e\u003cbr\u003e\u003cstrong\u003e- oral\u003c/strong\u003e: 719 μL/kg\u003cbr\u003e","Title":"Toluene","Toxicity Data":"LC50 (rat) = 8000 ppm/4H","Treatment":"If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally.","UNII":"3FPU23BG52","Wikipedia":"Toluene","XLogP":2.7}