<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:05:47 UTC</creation_date>
  <update_date>2020-09-17 15:34:05 UTC</update_date>
  <accession>FDB003389</accession>
  <name>2-Butoxyethanol</name>
  <description>2-Butoxyethanol, also known as butylcellosolve or 3-oxa-1-heptanol, is a primary alcohol and it also belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups. 2-Butoxyethanol is used in food processing as a processing aid, sanitizer, and solvent. 2-Butoxyethanol is an organic solvent with the formula C6H14O2. It is a colorless liquid with a sweet, ether-like odour. It is a butyl ether of ethylene glycol but should not be confused with it. The main use of 2-butoxyethanol is as a solvent in paints and surface coatings, followed by cleaning products and inks. Other products which contain 2-butoxyethanol include acrylic resin formulations, asphalt release agents, firefighting foam, leather protectors, oil spill dispersants, bowling pin and lane degreaser, and photographic strip solutions. 2-Butoxyethanol is a primary ingredient of various whiteboard cleaners, liquid soaps, cosmetics, dry cleaning solutions, lacquers, varnishes, herbicides, and latex paints.</description>
  <synonyms>
    <synonym>&amp;beta;-butoxyethanol</synonym>
    <synonym>2-Butossi-etanolo</synonym>
    <synonym>2-Butoxy ethanol</synonym>
    <synonym>2-BUTOXY ETHANOL (ETHYLENE GLYCOL MONOBUTYL ETHER)</synonym>
    <synonym>2-Butoxy-1-ethanol</synonym>
    <synonym>2-Butoxy-aethanol</synonym>
    <synonym>2-Butoxy-aethanol(GERMAN)</synonym>
    <synonym>2-Butoxy-ethanol</synonym>
    <synonym>2-Butoxyethan-1-ol</synonym>
    <synonym>2-butoxyethanol (butyl cellosolve)</synonym>
    <synonym>2-Butoxyethanol (ethylene glycol monobutyl ether)</synonym>
    <synonym>2-Hydroxyethyl n-butyl ether</synonym>
    <synonym>2-n-Butoxy-1-ethanol</synonym>
    <synonym>2-n-Butoxyethanol</synonym>
    <synonym>3-Oxa-1-heptanol</synonym>
    <synonym>Beta-butoxyethanol</synonym>
    <synonym>BUCS</synonym>
    <synonym>BuOCH2CH2OH</synonym>
    <synonym>Butoksyetylowy alkohol</synonym>
    <synonym>Butoxyethanol</synonym>
    <synonym>Butoxyethanol, 2-</synonym>
    <synonym>Butyglycol</synonym>
    <synonym>Butyl 2-hydroxyethyl ether</synonym>
    <synonym>Butyl cellosolve</synonym>
    <synonym>Butyl cellu-sol</synonym>
    <synonym>Butyl glycol</synonym>
    <synonym>Butyl icinol</synonym>
    <synonym>Butyl monoether glycol</synonym>
    <synonym>Butyl oxitol</synonym>
    <synonym>Butylcellosolve</synonym>
    <synonym>Butylcelosolv</synonym>
    <synonym>Butylglycol</synonym>
    <synonym>Butyloxitol</synonym>
    <synonym>Chimec NR</synonym>
    <synonym>Dowanol eb</synonym>
    <synonym>Eb solvent</synonym>
    <synonym>EGBE</synonym>
    <synonym>Egmbe</synonym>
    <synonym>Ek tasolve eb solvent</synonym>
    <synonym>Ektasolve eb</synonym>
    <synonym>Ektasolve eb solvent</synonym>
    <synonym>Eter monobutilico del etilenglicol</synonym>
    <synonym>Ethanol, 2-butoxy-</synonym>
    <synonym>Ether alcohol</synonym>
    <synonym>Ether monobutylique de l'ethyleneglycol</synonym>
    <synonym>Ethylene glycol butyl ether</synonym>
    <synonym>Ethylene glycol mono butyl ether</synonym>
    <synonym>Ethylene glycol mono-n-butyl ether</synonym>
    <synonym>Ethylene glycol monobutyl ether</synonym>
    <synonym>Ethylene glycol monobutyl ether (EGBE)(2-Butoxyet)</synonym>
    <synonym>Ethylene glycol n-butyl ether</synonym>
    <synonym>Ethylene glycol, monobutyl ether</synonym>
    <synonym>Ethyleneglycol monobutyl ether</synonym>
    <synonym>G lycol ether eb</synonym>
    <synonym>Gafcol eb</synonym>
    <synonym>Glycol butyl ether</synonym>
    <synonym>Glycol ether eb</synonym>
    <synonym>Glycol ether eb acetate</synonym>
    <synonym>Glycol monobutyl ether</synonym>
    <synonym>Jeffersol eb</synonym>
    <synonym>Minex BDH</synonym>
    <synonym>Monobutyl ether of ethylene glycol</synonym>
    <synonym>Monobutyl ethylene glycol ether</synonym>
    <synonym>Monobutyl glycol ether</synonym>
    <synonym>N-butoxyethanol</synonym>
    <synonym>N-butoxyethanol sodium salt</synonym>
    <synonym>N-butyl cellosolve</synonym>
    <synonym>O-butyl ethylene glycol</synonym>
    <synonym>Poly-solv eb</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>
    <description> belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.</description>
    <direct_parent>Dialkyl ethers</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Ethers</sub_class>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Dialkyl ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Primary alcohol</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>ether</external_descriptor>
      <external_descriptor>primary alcohol</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
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    <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>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Fp -74.8°</value>
    </property>
  </experimental_properties>
  <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>
  <pathways>
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  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
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    <reference>#&lt;Reference:0x000055ce3193d258&gt;</reference>
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    <food>
      <name>Blackberry</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Rubus</name_scientific>
      <ncbi_taxonomy_id/>
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      <name>Evergreen blackberry</name>
      <food_type>Type 1</food_type>
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      <name_scientific>Rubus laciniatus</name_scientific>
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      <name>Sweet cherry</name>
      <food_type>Type 1</food_type>
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      <name_scientific>Prunus avium</name_scientific>
      <ncbi_taxonomy_id>42229</ncbi_taxonomy_id>
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  <flavors>
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  </enzymes>
  <health_effects>
  </health_effects>
</compound>
