97910 <common-name>1-Propylheptyl dihydrogen phosphate</common-name> <description>1-Propylheptyl dihydrogen phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. It has the formula C10H23O4P and an average molecular weight of 238.26 g/mol.</description> <cas>68110-00-9</cas> <pubchem-id>107112</pubchem-id> <chemical-formula>C10H23O4P</chemical-formula> <weight>238.26</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">2026-04-05T05:36:19Z</created-at> <updated-at type="dateTime">2026-08-18T03:24:29Z</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>CCCCCCC(CCC)OP(O)(O)=O</moldb-smiles> <moldb-formula>C10H23O4P</moldb-formula> <moldb-inchi>InChI=1/C10H23O4P/c1-3-5-6-7-9-10(8-4-2)14-15(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)</moldb-inchi> <moldb-inchikey>VEUUGZQJNGFYBU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">238.264</moldb-average-mass> <moldb-mono-mass type="decimal">238.1333958</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM093803</chemdb-id> <dsstox-id>DTXSID20987586</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00060356</susdat-id> <iupac>decan-4-yl dihydrogen phosphate</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>Organic phosphoric acids and derivatives</klass> <subklass>Phosphate esters</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0063325</sync-id> <structure-inchikey>VEUUGZQJNGFYBU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000004000000000000000080000000000000000000000002000400000000000000000000008000000000000000000002000000200000000000000000010000000000000020000000000100000000001000000000000020010000000000000000000000000800000000000000008000000000000000000040000000000000000000010000000000000000000000000000000000100000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000001080020000000000000000010000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAwEGAGAA AAACAgYAYAAAAAICBgBgAAAAAQMIACAAAAACDwAgAAAABQgAYAAAAAEBCABg AAAAAQEIACgAAAADAgsAAQABAgACAwADBAAEBQAFBgAGBwAHCAAICQAGCgAK CwALDAALDQALDggCQgAAAAAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:49Z</structure-indexed-at> </compound>