96553 <common-name>Diethyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate</common-name> <description>Diethyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate is an organic compound with the formula C10H16O7 and an average molecular weight of 248.23 g/mol. Diethyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance is found in or released from one recorded source: food, food processing & cookware, specifically in the preparation of vinegar.</description> <cas>32074-56-9</cas> <pubchem-id>15384083</pubchem-id> <chemical-formula>C10H16O7</chemical-formula> <weight>248.23</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">2026-04-05T04:27:01Z</created-at> <updated-at type="dateTime">2026-08-18T02:06:42Z</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(=O)CC(O)(CC(O)=O)C(=O)OCC</moldb-smiles> <moldb-formula>C10H16O7</moldb-formula> <moldb-inchi>InChI=1/C10H16O7/c1-3-16-8(13)6-10(15,5-7(11)12)9(14)17-4-2/h15H,3-6H2,1-2H3,(H,11,12)</moldb-inchi> <moldb-inchikey>KGYXYKHTHJPEBX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">248.231</moldb-average-mass> <moldb-mono-mass type="decimal">248.0896029</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.6</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>CHEM092446</chemdb-id> <dsstox-id>DTXSID00953946</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00058684</susdat-id> <iupac>5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Tricarboxylic acids and derivatives</subklass> <paper-count type="integer">4</paper-count> <sync-id>CED0043674</sync-id> <structure-inchikey>KGYXYKHTHJPEBX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000200840000002000000010000000000000000000000004000000000002000000000000000000000004000000000000000000000000000000000000200000000000000000000000000020000000000100000000000000000000000000010000000000000000000000000000000000000000000000000000000000000044020000000000000000400000000000000000000000020000000000000100000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000002000400000000000000000000000000000000008000000080400000000000000000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAAAAICBgAgAAAABAgAYAAA AAEBBgBgAAAAAgIGACgAAAADBAgAaAAAAAMBAQgAKAAAAAMCBgAoAAAAAwQI ACgAAAADAggAKAAAAAMCBgBgAAAAAgIGAGAAAAABAwsAAQABAgACAyADBCgC AwUABQYABgcABggACAkACQogCQsoAgYMAAwNKAIMDiAODwAPEABCAAAAABcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:07Z</structure-indexed-at> </compound>