6737 <common-name>ETHYL 3-HYDROXYOCTANOATE</common-name> <description>ETHYL 3-HYDROXYOCTANOATE is an organic compound with the formula C10H20O3 and an average molecular weight of 188.27 g/mol. ETHYL 3-HYDROXYOCTANOATE belongs to the fatty alcohols, a subclass of fatty acyls within the organic compounds. Within the broader classification of lipids and lipid-like molecules, this compound serves industrial roles as a nutrient and a flavouring.</description> <cas>7367-90-0</cas> <pubchem-id>110975</pubchem-id> <chemical-formula>C10H20O3</chemical-formula> <weight>188.26</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">2016-05-19T02:04:38Z</created-at> <updated-at type="dateTime">2026-08-18T03:03:46Z</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 nil="true"/> <moldb-formula>C10H20O3</moldb-formula> <moldb-inchi>InChI=1S/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3</moldb-inchi> <moldb-inchikey>VGWUJHSTGYCXQQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">188.267</moldb-average-mass> <moldb-mono-mass type="decimal">188.141244504</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</logp> <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>CHEM005632</chemdb-id> <dsstox-id>DTXSID80864046</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00043794</susdat-id> <iupac>ethyl 3-hydroxyoctanoate</iupac> <moldb-polar-surface-area>46.53</moldb-polar-surface-area> <moldb-refractivity>51.308800000000005</moldb-refractivity> <moldb-polarizability>21.91419799735275</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>15.000113194390135</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.7987504887737558</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>2.04</moldb-alogps-logp> <moldb-alogps-logs>-1.72</moldb-alogps-logs> <moldb-alogps-solubility>3.59e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty alcohols</subklass> <paper-count type="integer">3</paper-count> <sync-id>CED0015166</sync-id> <structure-inchikey nil="true"/> <structure-fingerprint nil="true"/> <structure-pattern-fingerprint nil="true"/> <structure-pickle type="binary" nil="true" encoding="base64"/> <structure-indexed-at type="dateTime" nil="true"/> </compound>