<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:09:14 UTC</creation_date>
  <update_date>2026-08-23 07:26:53 UTC</update_date>
  <accession/>
  <common_name>Ethane, 1,2-diethoxy-</common_name>
  <class>SmallMolecule</class>
  <description>Ethane, 1,2-diethoxy- is an organic compound with the chemical formula C6H14O2 and an average molecular weight of 118.18 g/mol. Ethane, 1,2-diethoxy- belongs to the ethers, a subclass of organooxygen compounds within the organic compounds.

This substance has been identified in or released from 31 recorded sources. Within the category of electrical and electronic equipment, it is found in antennas, auxiliary devices, coils, communication cables or conductors, and cores yokes or armatures, among 12 other items. Its presence in household cleaning and consumer products includes bleaching agents, cigar cigarettes, perfumes within detergents and soaps, pipe accessories, soap detergents, and one additional product. Regarding food, food processing, and cookware, the compound is associated with the treatment of hops, processing meats, the preparation of vinegar, the preparation of wine or sparkling wine, and fermentation processes for beer. Additionally, it is recorded in building and construction materials such as floors and fencing, as well as in drinking water and water supply. The recorded exposure route for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1,2-diethoxyethane</synonym>
    <synonym>Ethylene glycol diethyl ether</synonym>
  </synonyms>
  <chemical_formula>C6H14O2</chemical_formula>
  <average_molecular_weight>118.176</average_molecular_weight>
  <monisotopic_moleculate_weight>118.099379691</monisotopic_moleculate_weight>
  <iupac_name>1,2-diethoxyethane</iupac_name>
  <traditional_iupac>1,2-diethoxyethane</traditional_iupac>
  <cas_registry_number>629-14-1</cas_registry_number>
  <smiles>CCOCCOCC</smiles>
  <inchi>InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3</inchi>
  <inchikey>LZDKZFUFMNSQCJ-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>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Dialkyl ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <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>0.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.78</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.59</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.00e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.79</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1,2-diethoxyethane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>118.176</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>118.099379691</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCOCCOCC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H14O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LZDKZFUFMNSQCJ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>18.46</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>33.55</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>14.48</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>0</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:0x00007f72262d5830&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>12375</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>13835376</chemspider_id>
  <kegg_id/>
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</compound>
