<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:04:29 UTC</creation_date>
  <update_date>2026-08-23 22:42:50 UTC</update_date>
  <accession/>
  <common_name>Triethylene glycol monomethyl ether</common_name>
  <class>SmallMolecule</class>
  <description>Triethylene glycol monomethyl ether is an organic oxygen compound with the formula C7H16O4 and an average molecular weight of 164.20 g/mol. Triethylene glycol monomethyl ether belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. In industrial settings, the compound serves as a solvent, a plasticizer, and a chemical reaction regulator.

The compound is identified in 32 recorded sources. Within electrical and electronic equipment, it is found in antennas, coils, auxiliary devices, communication cables or conductors, and colour television systems, among 18 other items. It is also present in household cleaning and consumer products, including soap dispensers, soap detergents, bleaching agents, perfumes within detergents and soaps, and tobacco smoke filters. Additionally, it occurs in drinking water and water supply, indoor air, and in food, food processing and cookware, where it is associated with food preservation and food contact materials. Recorded exposure routes for the compound include oral, touch, and inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-(2-(2-methoxyethoxy)ethoxy)ethanol</synonym>
    <synonym>2-[2-(2-methoxyethoxy)ethoxy]ethan-1-ol</synonym>
    <synonym>2-[2-(2-Methoxyethoxy)ethoxy]ethanol</synonym>
    <synonym>Ethanol, 2-(2-(2-methoxyethoxy)ethoxy)-</synonym>
  </synonyms>
  <chemical_formula>C7H16O4</chemical_formula>
  <average_molecular_weight>164.1995</average_molecular_weight>
  <monisotopic_moleculate_weight>164.104859</monisotopic_moleculate_weight>
  <iupac_name>2-[2-(2-methoxyethoxy)ethoxy]ethan-1-ol</iupac_name>
  <traditional_iupac>methoxy triethylene glycol</traditional_iupac>
  <cas_registry_number>112-35-6</cas_registry_number>
  <smiles>COCCOCCOCCO</smiles>
  <inchi>InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3</inchi>
  <inchikey>JLGLQAWTXXGVEM-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Ethers</sub_class>
    <direct_parent>Polyethylene glycols</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Polyethylene glycol</substituent>
      <substituent>Primary alcohol</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>hydroxypolyether</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.55</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.10</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.30e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-0.66</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>15.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-2.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2-[2-(2-methoxyethoxy)ethoxy]ethan-1-ol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>164.1995</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>164.104859</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COCCOCCOCCO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H16O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JLGLQAWTXXGVEM-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>47.92</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>41.39</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>18.63</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72452f2268&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>8178</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>7886</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
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</compound>
