<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">100667</id>
  <title nil="true"/>
  <common-name>2-Ethyl-2-[[2-(hydroxymethyl)butoxy]methyl]propane-1,3-diol</common-name>
  <description>2-Ethyl-2-[[2-(hydroxymethyl)butoxy]methyl]propane-1,3-diol belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C11H24O4 and an average molecular weight of 220.31 g/mol.</description>
  <cas>93983-18-7</cas>
  <pubchem-id>3023230</pubchem-id>
  <chemical-formula>C11H24O4</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-05T08:00:00Z</created-at>
  <updated-at type="dateTime">2026-04-05T08:00:00Z</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>CCC(CO)COCC(CC)(CO)CO</moldb-smiles>
  <moldb-formula>C11H24O4</moldb-formula>
  <moldb-inchi>InChI=1/C11H24O4/c1-3-10(5-12)6-15-9-11(4-2,7-13)8-14/h10,12-14H,3-9H2,1-2H3</moldb-inchi>
  <moldb-inchikey>JCEBUJBSXYPWSN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">220.309</moldb-average-mass>
  <moldb-mono-mass type="decimal">220.1674592</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM096560</chemdb-id>
  <dsstox-id>DTXSID10916729</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00063772</susdat-id>
  <iupac nil="true"/>
  <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 oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Ethers</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0099475</sync-id>
  <structure-inchikey>JCEBUJBSXYPWSN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000003200000000000000000000000002000000000000000003000000000000000000000000000000000000000000000021000000000000000000000000000000000000000004008000000100000000001000000000000000010000000000000000000000000000000000080000000000000000000000000040000000000020000000000000000000000000002000000000000000000000000000000000000000000000000008000000000000000000100000000000800000000000000000000000800000000000200000000000000000000000000000000000000000000000000000000000000000400000000080000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADgAAAIABBgBgAAAAAQMGAGAAAAAC
AgYAYAAAAAMBBgBgAAAAAgIIAGAAAAABAQYAYAAAAAICCAAgAAAAAgYAYAAA
AAICBgAgAAAABAYAYAAAAAICBgBgAAAAAQMGAGAAAAACAggAYAAAAAEBBgBg
AAAAAgIIAGAAAAABAQsAAQABAgACAwADBAACBQAFBgAGBwAHCAAICQAJCgAI
CwALDAAIDQANDgBCAAAAABcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:39:25Z</structure-indexed-at>
</compound>
