5920 <common-name>BENZALDEHYDE GLYCERYL ACETAL</common-name> <description>BENZALDEHYDE GLYCERYL ACETAL is an organic compound with the formula C10H12O3 and an average molecular weight of 180.20 g/mol. BENZALDEHYDE GLYCERYL ACETAL belongs to the 1,3-dioxanes, a subclass of dioxanes within the organic compounds. It is classified as an organoheterocyclic compound. Industrially, this substance is utilized as a fragrance, as well as a flavouring and nutrient.</description> <cas>1319-88-6</cas> <pubchem-id>5463840</pubchem-id> <chemical-formula>C10H12O3</chemical-formula> <weight>180.2</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">2016-05-19T01:55:10Z</created-at> <updated-at type="dateTime">2026-08-17T23:52:17Z</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>OC1COC(OC1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C10H12O3</moldb-formula> <moldb-inchi>InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2</moldb-inchi> <moldb-inchikey>BWKDAAFSXYPQOS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">180.2005</moldb-average-mass> <moldb-mono-mass type="decimal">180.07864425</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4576397</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>CHEM004815</chemdb-id> <dsstox-id>DTXSID00904276</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00011997</susdat-id> <iupac>(Z)-4-phenylbut-3-ene-1,2,3-triol</iupac> <moldb-polar-surface-area>38.69</moldb-polar-surface-area> <moldb-refractivity>47.39970000000001</moldb-refractivity> <moldb-polarizability>18.819295134989716</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>13.667437124560745</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.38166300171713</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>0.80</moldb-alogps-logp> <moldb-alogps-logs>-0.85</moldb-alogps-logs> <moldb-alogps-solubility>2.53e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Dioxanes</klass> <subklass>1,3-dioxanes</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0018463</sync-id> <structure-inchikey>BWKDAAFSXYPQOS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000004000000000000000000000000000000000000000000000000020000000000000000800000000000000001000000000000000000210000000000000000000000000000020000000000000000000000100000000000000000800800000000000000000000000100000000000000400001000000000000002004000000080000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000200000000000000000040000000000040000000000010000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADgAAAIABCABgAAAAAQEGAGAAAAAD AQYAYAAAAAICCAAgAAAAAgYAYAAAAAMBCAAgAAAAAgYAYAAAAAICBkAoAAAA AwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD AwELAAEAAQIAAgMAAwQABAUABQYABAcABwhoDAgJaAwJCmgMCgtoDAsMaAwG AQAMB2gMQgIAAAAGAQYFBAMCBggJCgsMBxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:07Z</structure-indexed-at> </compound>