<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3936</id>
  <title>T3D3881</title>
  <common-name>Methyl cellusolve</common-name>
  <description>Methyl cellosolve, is a clear and colorless liquid at room temperature mainly used as a solvent. It is used for many purposes including varnishes, dyes, resins, printing, finishing textile, and semiconductor manufacturing. It is a central nervous system toxicant and has been shown to damage the lungs and kidneys in animal testing.</description>
  <cas>9004-74-4</cas>
  <pubchem-id>8019</pubchem-id>
  <chemical-formula>C3H8O2</chemical-formula>
  <weight>76.09</weight>
  <appearance nil="true"/>
  <melting-point>-85°C</melting-point>
  <boiling-point>124-125°C</boiling-point>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Methyl cellosolve, is a clear and colorless liquid at room temperature mainly used as a solvent. It is used for many purposes including varnishes, dyes, resins, printing, finishing textile, and semiconductor manufacturing.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:53Z</created-at>
  <updated-at type="dateTime">2026-05-14T17:46:27Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id>46790</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB02806</drugbank-id>
  <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>COCCO</moldb-smiles>
  <moldb-formula>C3H8O2</moldb-formula>
  <moldb-inchi>InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3</moldb-inchi>
  <moldb-inchikey>XNWFRZJHXBZDAG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">76.0944</moldb-average-mass>
  <moldb-mono-mass type="decimal">76.0524295</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>-0.57</logp>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL444144</chembl-id>
  <chemspider-id>7728</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>CHEM002842</chemdb-id>
  <dsstox-id>DTXSID5024182</dsstox-id>
  <toxcast-id>24182</toxcast-id>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00005683</stoff-ident-id>
  <susdat-id nil="true"/>
  <iupac>2-methoxyethan-1-ol</iupac>
  <moldb-polar-surface-area>29.46</moldb-polar-surface-area>
  <moldb-refractivity>19.304799999999997</moldb-refractivity>
  <moldb-polarizability>8.21885211529912</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>15.122038740886559</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.745420254736219</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>-0.78</moldb-alogps-logp>
  <moldb-alogps-logs>1.03</moldb-alogps-logs>
  <moldb-alogps-solubility>8.12e+02 g/l</moldb-alogps-solubility>
</compound>
