{"Adverse Effects":"Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect","Aliases":["N-butyl nitrite","Nitrous acid, butyl ester","NSC-8426","208-862-1","1-Butyl nitrite","Nitrous Acid Butyl Ester","Nitrous acid, n-butyl ester","N-Butylnitrite","Butylnitrite","NCI-C56553","NSC 8426","n-C4H9ONO","Mfcd00002058","Butyl ester of nitrous acid","NBN","CCRIS 838","Einecs 208-862-1","NSC 8426; n-Butyl Nitrite; Nitrous Acid, Butyl Ester","Brn 1701036","AI3-15310","Butyl nitrite, 95%","Butyl nitrite(Technical)","Schembl166345","Chembl3181968","Dtxcid7029378","Jqjpbyftqaanle-uhfffaoysa-","NSC8426","Chebi:173360","Tox21_202927","Akos015995388","UN 2351","Ncgc00260473-01","BP-20316","Cas-544-16-1","LS-13006","DB-000272","N0376","NS00033079","InChI=1/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3"],"CAS":"544-16-1","Chemical Classes":"Nitrogen Compounds -\u003e Nitrates and Nitrites","ChemicalClasses":["alkyl nitrite"],"Chirality":"achiral","DTXSID":"8049418","Erowid Experience Reports":[],"Esters":[],"European Community (EC) Number":"208-862-1","Formating":[],"HMDB ID":"HMDB0031329","HeavyAtomCount":7,"IUPACName":"butyl nitrite","InChI":"InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3","InChIKey":"JQJPBYFTQAANLE-UHFFFAOYSA-N","MeSH Headers":[{"Id":"M0082196","Link":"https://id.nlm.nih.gov/mesh/M0082196.html","Name":"n-butyl nitrite","Ref":43},{"Id":"DescTree","Link":"https://www.nlm.nih.gov/mesh/meshhome.html","Name":"MeSH Tree","Ref":45},{"Id":"PubMed from MeSH","Link":"https://www.nlm.nih.gov/mesh/meshhome.html","Name":null,"Ref":61},{"Id":"M0022559","Link":"https://id.nlm.nih.gov/mesh/M0022559.html","Name":"Vasodilator Agents","Ref":62}],"MeSH Pharmacological Classification":[{"Id":"M0022559","Link":"https://id.nlm.nih.gov/mesh/M0022559.html","Name":"Vasodilator Agent","Ref":62}],"MolecularFormula":"C\u003csub\u003e4\u003c/sub\u003eH\u003csub\u003e9\u003c/sub\u003eNO\u003csub\u003e2\u003c/sub\u003e","MolecularWeight":"103.12 g/mol","Physical Description":"Butyl nitrite appears as a yellow oily liquid with a pleasant odor. A mixture of isomers (n-butyl, sec-butyl and tert-butyl). Slightly soluble in water. Slightly less dense than water. Vapors are much heavier than air. Toxic by ingestion, mildly toxic by inhalation. Used to make fuel for jet airplanes.","PubChemId":10996,"PubChemTitle":"Butyl nitrite","Records":{"UNII":{"Impurities":[]}},"Reddit Experience Reports":[],"RefChem":"829371","RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Butyl_nitrite","Name":"Butyl nitrite","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q3342208","Name":"Butyl nitrite","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/10996","Name":"Butyl nitrite","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=544-16-1","Name":"Butyl nitrite","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0031329","Name":"Butyl nitrite","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/44P8QG0F3T","Name":"Butyl nitrite","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID8049418","Name":"Butyl nitrite","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 10996, Butyl nitrite. Accessed August 24, 2026. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/10996\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/10996\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Butyl nitrite. UNII: 44P8QG0F3T. Global Substance Registration System. Accessed August 24, 2026. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/44P8QG0F3T\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/44P8QG0F3T\u003c/a\u003e"],"SMILES":"CCCCON=O","SaltData":[],"Salts":[],"Scheduling":[{"gov":"Australia","ref":[],"schedule":"S4 substance"},{"gov":"United Kingdom","ref":[],"schedule":"Medicines Act 1968|Controlled Drug (Medicines Act 1968) substance"},{"gov":"United States","ref":[],"schedule":"Unscheduled Anti-Drug Abuse Act of 1988|(illegal under Anti-Drug Abuse Act of 1988) substance"}],"StereoisomerData":[],"Stereoisomers":[],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 83.169 13.833\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg fill=\"#ff0d0d\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".8\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h84v14H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m1.106 10.68 13.199-7.62M14.305 3.06l13.198 7.62M27.503 10.68l13.198-7.62M40.701 3.06l9.59 5.537M57.508 8.597l6.311-3.644\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m70.986 3.898 6.311 3.643M69.767 6.009l6.311 3.644\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m70.986 3.898 3.156 1.822\" class=\"hi\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"M77.297 7.541 74.142 5.72\" class=\"hi\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m69.767 6.009 3.155 1.822\" class=\"hi\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m76.078 9.653-3.156-1.822\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath stroke=\"none\" d=\"M53.902 8.635q-.738 0-1.172.554-.429.548-.429 1.494 0 .947.429 1.495.434.547 1.172.547.739 0 1.167-.547.429-.548.429-1.495 0-.946-.429-1.494-.428-.554-1.167-.554m0-.547q1.054 0 1.679.708.631.703.631 1.887 0 1.179-.631 1.887-.625.703-1.679.703-1.053 0-1.684-.703-.631-.702-.631-1.887 0-1.184.631-1.887.631-.708 1.684-.708\" class=\"atom\"/\u003e\u003cpath fill=\"#3050f8\" stroke=\"none\" d=\"M65.205.56h.91l2.215 4.185V.56h.661v5.001h-.911l-2.221-4.185v4.185h-.654z\" class=\"atom\"/\u003e\u003cpath stroke=\"none\" d=\"M80.299 8.635q-.738 0-1.173.554-.429.548-.429 1.494 0 .947.429 1.495.435.547 1.173.547t1.167-.547q.428-.548.428-1.495 0-.946-.428-1.494-.429-.554-1.167-.554m0-.547q1.054 0 1.679.708.631.703.631 1.887 0 1.179-.631 1.887-.625.703-1.679.703t-1.685-.703-.631-1.887.631-1.887q.631-.708 1.685-.708\" class=\"atom\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m50.291 8.597-4.795-2.768M57.508 8.597l3.155-1.822\" class=\"hi\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m63.819 4.953-3.156 1.822\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Butyl nitrite","Toxicity Data":"LC50 (rat) = 420 ppm/4h","UNII":"44P8QG0F3T","Wikidata":"Q3342208","Wikipedia":"Butyl_nitrite","XLogP":1.3}