<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:04:06 UTC</creation_date>
  <update_date>2026-08-23 07:26:13 UTC</update_date>
  <accession/>
  <common_name>ETHYLENE GLYCOL MONOBUTYL ETHER</common_name>
  <class>SmallMolecule</class>
  <description>ETHYLENE GLYCOL MONOBUTYL ETHER (C6H14O2) is a compound with an average molecular weight of 118.17 g/mol. ETHYLENE GLYCOL MONOBUTYL ETHER belongs to the ethers, a subclass of organooxygen compounds within the organic compounds.

In industrial applications, this compound serves as a solvent (PMC10568719, PMC7299911), cleaning agent, and solubility enhancer. It is further utilized as a surfactant (surface active agent), viscosity modifier, and dispersing agent. Other industrial roles include use as a deodorizer, dye, pharmaceutical, UV stabilizer, plasticizer, film former, fragrance, flow promoter, and chemical reaction regulator. It is also employed as a flavouring and nutrient, a degradant/impurity, and as processing aids not otherwise specified.

The compound is found in or released from 42 recorded sources. These include electrical and electronic equipment such as antennas, coils, adjustable resistors, auxiliary devices, and communication cables or conductors, among 19 others. Within household cleaning and consumer products, it appears in bleaching agents, soap detergents, perfumes within detergents and soaps, cigar cigarettes, and pipe accessories. In the realm of food, food processing, and cookware, it is associated with food preservation, food contact materials, processing meats, fermentation processes for beer, and the treatment of hops. Additional sources include household items like watch chains, drinking water and water supply, and building and construction materials such as floors, ceilings, ladders, fencing, and tents or canopies. Recorded exposure routes for the compound include touch, oral, and inhalation. Regarding health effects, ETHYLENE GLYCOL MONOBUTYL ETHER is associated with liver cancer (PMC5036686).</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-butoxyethan-1-ol</synonym>
    <synonym>2-Butoxyethanol</synonym>
    <synonym>2-butoxyethanol</synonym>
    <synonym>Ethanol, 2-butoxy-</synonym>
    <synonym>Poly(oxy-1,2-ethanediyl), α-butyl-ω-hydroxy-</synonym>
  </synonyms>
  <chemical_formula>C6H14O2</chemical_formula>
  <average_molecular_weight>118.1742</average_molecular_weight>
  <monisotopic_moleculate_weight>118.099379692</monisotopic_moleculate_weight>
  <iupac_name>2-butoxyethan-1-ol</iupac_name>
  <traditional_iupac>butoxyethanol</traditional_iupac>
  <cas_registry_number>111-76-2</cas_registry_number>
  <smiles>CCCCOCCO</smiles>
  <inchi>InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3</inchi>
  <inchikey>POAOYUHQDCAZBD-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>Dialkyl ethers</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>Dialkyl ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Primary alcohol</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>ether</descriptor>
      <descriptor>primary alcohol</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>0.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.78</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.19</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.65e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.76</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-butoxyethan-1-ol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>118.1742</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>118.099379692</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCOCCO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H14O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>POAOYUHQDCAZBD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>29.46</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>33.18</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>14.37</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</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:0x00007f3baf0f0298&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>8133</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>32046983</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
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  <wikipidia/>
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</compound>
