6730 <common-name>ETHYL 3-HYDROXYHEXANOATE</common-name> <description>ETHYL 3-HYDROXYHEXANOATE belongs to the beta hydroxy acids and derivatives, a subclass of hydroxy acids and derivatives within the organic compounds. This compound has the chemical formula C8H16O3 and an average molecular weight of 160.21 g/mol. In industrial applications, ETHYL 3-HYDROXYHEXANOATE is utilized as a fragrance, as well as a nutrient and flavouring agent. The compound is found in or released from three recorded sources. Within the category of food, food processing and cookware, it is associated with the preparation of vinegar and the preparation of wine or sparkling wine. In the category of household cleaning and consumer products, it is found in cigar cigarettes. Additionally, the compound is released in low-density polyethylene plastics.</description> <cas>2305-25-1</cas> <pubchem-id>61293</pubchem-id> <chemical-formula>C8H16O3</chemical-formula> <weight>160.21</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">2016-05-19T02:04:34Z</created-at> <updated-at type="dateTime">2026-08-24T17:13:23Z</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(O)CC(=O)OCC</moldb-smiles> <moldb-formula>C8H16O3</moldb-formula> <moldb-inchi>InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3</moldb-inchi> <moldb-inchikey>LYRIITRHDCNUHV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">160.2108</moldb-average-mass> <moldb-mono-mass type="decimal">160.109944378</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>55232</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>CHEM005625</chemdb-id> <dsstox-id>DTXSID10862898</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012411</susdat-id> <iupac>ethyl 3-hydroxyhexanoate</iupac> <moldb-polar-surface-area>46.53</moldb-polar-surface-area> <moldb-refractivity>42.10680000000001</moldb-refractivity> <moldb-polarizability>17.807727466514226</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>15.000605766046448</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.7985350379312823</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>1.32</moldb-alogps-logp> <moldb-alogps-logs>-0.62</moldb-alogps-logs> <moldb-alogps-solubility>3.83e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Hydroxy acids and derivatives</klass> <subklass>Beta hydroxy acids and derivatives</subklass> <paper-count type="integer">6</paper-count> <sync-id>CED0011963</sync-id> <structure-inchikey>LYRIITRHDCNUHV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000010000000000000000000100000000000000002000000000200000000000000000000000000000000000000000000000000000000000000000000008000000030000000000100000000001000000000000020010000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000020000000000002000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000012000000000000000000000000080000000000000000000000400000000000000000000000000004200</structure-fingerprint> <structure-pattern-fingerprint>2000020e000800000000002000000000000004000000200040000000044000000000800000000001000000000004200080000c00010000443000a0000084110000000000000000002000420100000000004000000200000420000009000c2000000000020000000000402000002000801000046004110800000010000240440000044000000800000088000000100400024440000000040800000080000041000000004000000008000024001002c0000100000800000000000000000000000004040000000080000001000000000000000000400000000000080000000000080000000000000000000000000400000010004000000000010050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAwEIAGAAAAABAQYAYAAAAAICBgAoAAAAAwQIACgA AAADAggAKAAAAAMCBgBgAAAAAgIGAGAAAAABAwsAAQABAgACAwADBAADBQAF BgAGBygCBgggCAkACQoAQgAAAAAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:30Z</structure-indexed-at> </compound>