<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4015</id>
  <title>T3D3961</title>
  <common-name>Monoethyl phthalate</common-name>
  <description>Monoethyl phthalate (mEtP) is a metabolite, or breakdown product, of diethyl phthalate, used in perfume, cologne, deodorant, soap, shampoo, lotion, and other personal care products, particularly those containing fragrance.</description>
  <cas>2306-33-4</cas>
  <pubchem-id>75318</pubchem-id>
  <chemical-formula>C10H10O4</chemical-formula>
  <weight>194.18</weight>
  <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>Monoethyl phthalate (mEtP) is a metabolite, or breakdown product, of diethyl phthalate, used in perfume, cologne, deodorant, soap, shampoo, lotion, and other personal care products, particularly those containing fragrance.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:47:26Z</created-at>
  <updated-at type="dateTime">2026-04-17T16:08:11Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id>70973</chebi-id>
  <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)C1=CC=CC=C1C(O)=O</moldb-smiles>
  <moldb-formula>C10H10O4</moldb-formula>
  <moldb-inchi>InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)</moldb-inchi>
  <moldb-inchikey>YWWHKOHZGJFMIE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">194.184</moldb-average-mass>
  <moldb-mono-mass type="decimal">194.057908808</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB02120</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>67856</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>v. Amann, Walter.  Ethyl hydrogen phthalate.    Monatshefte fuer Chemie  (1915),  36  505-8. </synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002921</chemdb-id>
  <dsstox-id>DTXSID3052696</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010914</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>63.6</moldb-polar-surface-area>
  <moldb-refractivity>50.088100000000004</moldb-refractivity>
  <moldb-polarizability>18.955813546774166</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.0847783243356672</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-6.955892706225593</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>1.77</moldb-alogps-logp>
  <moldb-alogps-logs>-2.03</moldb-alogps-logs>
  <moldb-alogps-solubility>1.81e+00 g/l</moldb-alogps-solubility>
</compound>
