<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">5002</id>
  <title>T3D4947</title>
  <common-name>2-Ethoxyethyl acetate</common-name>
  <description>2-Ethoxyethyl acetate was included in June 2011 in the European Chemicals Agency (ECHA) list of Substances of Very High Concern (SVHC) due to its being toxic for reproduction. Substances in the list of SVHCs are those for which ECHA is considering imposing a requirement for authorization for some or all uses.</description>
  <cas>111-15-9</cas>
  <pubchem-id>8095</pubchem-id>
  <chemical-formula>C6H12O3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-17T20:02:13Z</created-at>
  <updated-at type="dateTime">2026-05-20T18:22:30Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>8095</kegg-compound-id>
  <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>CCOCCOC(C)=O</moldb-smiles>
  <moldb-formula>C6H12O3</moldb-formula>
  <moldb-inchi>InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3</moldb-inchi>
  <moldb-inchikey>SVONRAPFKPVNKG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">132.1577</moldb-average-mass>
  <moldb-mono-mass type="decimal">132.07864425</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1427293</chembl-id>
  <chemspider-id>13839109</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003903</chemdb-id>
  <dsstox-id>DTXSID9021928</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00011491</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>35.53</moldb-polar-surface-area>
  <moldb-refractivity>33.2049</moldb-refractivity>
  <moldb-polarizability>14.393942210346767</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-4.136346113815789</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>0.72</moldb-alogps-logp>
  <moldb-alogps-logs>-0.63</moldb-alogps-logs>
  <moldb-alogps-solubility>3.13e+01 g/l</moldb-alogps-solubility>
</compound>
