95191 <common-name>Butyl 3-hydroxy-3,5-dimethylhex-4-enoate</common-name> <description>Butyl 3-hydroxy-3,5-dimethylhex-4-enoate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the formula C12H22O3 and an average molecular weight of 214.31 g/mol.</description> <cas>54074-74-7</cas> <pubchem-id>103872</pubchem-id> <chemical-formula>C12H22O3</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T03:13:54Z</created-at> <updated-at type="dateTime">2026-04-05T03:13:54Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCCOC(=O)CC(C)(O)C=C(C)C</moldb-smiles> <moldb-formula>C12H22O3</moldb-formula> <moldb-inchi>InChI=1/C12H22O3/c1-5-6-7-15-11(13)9-12(4,14)8-10(2)3/h8,14H,5-7,9H2,1-4H3</moldb-inchi> <moldb-inchikey>QTFZJAKYCVIQBN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">214.305</moldb-average-mass> <moldb-mono-mass type="decimal">214.1568946</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM091084</chemdb-id> <dsstox-id>DTXSID20968911</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057121</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0173200</sync-id> <structure-inchikey>QTFZJAKYCVIQBN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000002000000010000000000000000000000000000000400002000000000000000000000000800000000000000000000000000000000000200000800000010000000000000020000000000300000200000000000000000020010000000000000000000000000000080000000000000000000000400020000044000000000000000000000000000000000000000000000000400000000000000000000000000000002000000000000000000000000000001000000000000000000000000000000000000000000000000000002002000000000000000000000000000000000020000000090400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>1000002001020e0088000000010820000000000001050000002000400200000c400200100080000000000102008000000420008c008c10010000443000a0400084110400000004000082102000620100000004004000003240000420000009000c300002004002000000000040300000200080100005600411080000001000024044000804400008080002008808000811140012444010020004080000008080004100000000400000000840012c201002c00001000108001000000000400200002000840400000200800000010102800000000002004000000000000800800000000c1000000000000004000014200400300010004000000000010050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIIACgAAAADAgYAKAAAAAMECAAoAAAAAwIGAGAA AAACAgYAIAAAAAQGAGAAAAABAwgAYAAAAAEBBgBoAAAAAwMBBgAoAAAAAwQG AGAAAAABAwYAYAAAAAEDCwABAAECAAIDAAMEAAQFIAUGKAIFBwAHCAAICQAI CgAICwALDAgCDA0ADA4AQgAAAAAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:15Z</structure-indexed-at> </compound>