6762 <common-name>ETHYL 2-METHYLPENTANOATE</common-name> <description>ETHYL 2-METHYLPENTANOATE belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C8H16O2 and an average molecular weight of 144.21 g/mol. It is classified within the superclass of lipids and lipid-like molecules. In industrial applications, ETHYL 2-METHYLPENTANOATE is utilized as a fragrance, as well as a nutrient and flavouring agent. The substance has been identified in four recorded sources, including drinking water and water supply. It is also associated with household cleaning and consumer products, specifically cigar cigarettes, and is found in food, food processing, and cookware related to fermentation processes for beer. Additionally, it is released from electrical and electronic equipment, specifically discharge lamps. The recorded exposure route for this compound is oral.</description> <cas>39255-32-8</cas> <pubchem-id>62902</pubchem-id> <chemical-formula>C8H16O2</chemical-formula> <weight>144.21</weight> <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">2016-05-19T02:04:52Z</created-at> <updated-at type="dateTime">2026-08-24T17:09:49Z</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>CCCC(C)C(=O)OCC</moldb-smiles> <moldb-formula>C8H16O2</moldb-formula> <moldb-inchi>InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3</moldb-inchi> <moldb-inchikey>HZPKNSYIDSNZKW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">144.2114</moldb-average-mass> <moldb-mono-mass type="decimal">144.115029756</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>56627</chemspider-id> <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>CHEM005657</chemdb-id> <dsstox-id>DTXSID7047198</dsstox-id> <toxcast-id>47198</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00004474</susdat-id> <iupac>ethyl 2-methylpentanoate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>40.564800000000005</moldb-refractivity> <moldb-polarizability>17.088172589167783</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-7.067958614315839</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>2.90</moldb-alogps-logp> <moldb-alogps-logs>-1.88</moldb-alogps-logs> <moldb-alogps-solubility>1.90e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">5</paper-count> <sync-id>CED0021006</sync-id> <structure-inchikey>HZPKNSYIDSNZKW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000010000000000000000000000000000000001002000000000000004000000000000000000000000000000000000000000000000000000000000000000000000020000000000100000000001000000000000020010000000000000000000000000000000000000000000000000000000000000040000000000000000400000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000100800000000000002080000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>2000000e000800000000002000000000000104000000200040000000044000000000800000000001000080000004200084008c00010000443000a0000080110000000000000000002000620100000000004000002200000020000009000c2000000000020000000000402000002000801000046004110800000010000200440000044000000800000088000000100400024440000000040800000080000041000000004000000008000024001002c0000000000800000000000000000000010000040000000080000000000000000400000000400000000000080000000000080000000000000000000000000000000000004000000000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAwEGAGAAAAABAwYAKAAAAAMECAAoAAAAAwIIACgA AAADAgYAYAAAAAICBgBgAAAAAQMLAAEAAQIAAgMAAwQAAwUABQYoAgUHIAcI AAgJAEIAAAAAFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:31Z</structure-indexed-at> </compound>