7154 <common-name>HYDROXYCITRONELLAL DIETHYL ACETAL</common-name> <description>Hydroxycitronellal diethyl acetal is an organic compound with the formula C14H30O3 and an average molecular weight of 246.39 g/mol. HYDROXYCITRONELLAL DIETHYL ACETAL belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. In industrial applications, this substance is utilized as a fragrance, as well as a nutrient and flavouring.</description> <cas>7779-94-4</cas> <pubchem-id>5463911</pubchem-id> <chemical-formula>C14H30O3</chemical-formula> <weight>246.39</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">2016-05-19T02:09:25Z</created-at> <updated-at type="dateTime">2026-08-19T08:03:57Z</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>CCOC(CC(C)CCCC(C)(C)O)OCC</moldb-smiles> <moldb-formula>C14H30O3</moldb-formula> <moldb-inchi>InChI=1S/C14H30O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h12-13,15H,6-11H2,1-5H3</moldb-inchi> <moldb-inchikey>XOJDKWNFMFCXNE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">246.3862</moldb-average-mass> <moldb-mono-mass type="decimal">246.219494826</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM006049</chemdb-id> <dsstox-id>DTXSID00864124</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00043985</susdat-id> <iupac>8,8-diethoxy-2,6-dimethyloctan-2-ol</iupac> <moldb-polar-surface-area>38.69</moldb-polar-surface-area> <moldb-refractivity>71.61210000000001</moldb-refractivity> <moldb-polarizability>30.37518145243118</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>18.530768509346746</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.2536871061623773</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>3.49</moldb-alogps-logp> <moldb-alogps-logs>-3.50</moldb-alogps-logs> <moldb-alogps-solubility>7.78e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Alcohols and polyols</subklass> <paper-count type="integer">4</paper-count> <sync-id>CED0028650</sync-id> <structure-inchikey>XOJDKWNFMFCXNE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000002000000000000000000000000000000000000000001002000008000000000000000010900000000000000000000000000000000000000000000000000100080000000000000000800100000000001000000000000000010000000000010000000000000000000000000000000000000000000000000040000000000000000100020000000000000000000000024000000000000000080000000000000000000000000000000000000000000000000000000000000000000000002000000000000018000000000000000000000000000000000000000000000000000000000000090000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AggAIAAAAAIGAGAAAAADAQYAYAAAAAICBgBgAAAAAwEGAGAAAAABAwYAYAAA AAICBgBgAAAAAgIGAGAAAAACAgYAIAAAAAQGAGAAAAABAwYAYAAAAAEDCABg AAAAAQEIACAAAAACBgBgAAAAAgIGAGAAAAABAwsAAQABAgACAwADBAAEBQAF BgAFBwAHCAAICQAJCgAKCwAKDAAKDQADDgAODwAPEABCAAAAABcEAAAAAAAA ABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:44Z</structure-indexed-at> </compound>