<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:01:38 UTC</creation_date>
  <update_date>2026-08-22 15:30:32 UTC</update_date>
  <accession/>
  <common_name>1,1-DIMETHOXYETHANE</common_name>
  <class>SmallMolecule</class>
  <description>1,1-DIMETHOXYETHANE is an organic oxygen compound with the formula C4H10O2 and an average molecular weight of 90.12 g/mol. 1,1-DIMETHOXYETHANE belongs to the ethers, a subclass of organooxygen compounds within the organic compounds.

In industrial applications, this compound is utilized as a fragrance, as well as a nutrient and flavouring agent. It has been identified in 20 recorded sources across various categories. Within electrical and electronic equipment, it is found in discharge lamps, electric switches, antennas, coils, and conductors or conductive bodies characterised by the conductive materials. It is also present in household items such as coins.

In the realm of household cleaning and consumer products, 1,1-DIMETHOXYETHANE is associated with soap dispensers, soap detergents, bleaching agents, cigar cigarettes, and perfumes within detergents and soaps. Additionally, the compound is released from sources related to food, food processing, and cookware, specifically during the preparation of wine or sparkling wine, food preservation, and fermentation processes for beer.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C4H10O2</chemical_formula>
  <average_molecular_weight>90.121</average_molecular_weight>
  <monisotopic_moleculate_weight>90.068079564</monisotopic_moleculate_weight>
  <iupac_name>1,1-dimethoxyethane</iupac_name>
  <traditional_iupac>1,1-dimethoxyethane</traditional_iupac>
  <cas_registry_number>534-15-6</cas_registry_number>
  <smiles>COC(C)OC</smiles>
  <inchi>InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3</inchi>
  <inchikey>SPEUIVXLLWOEMJ-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>Acetals</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acetal</substituent>
      <substituent>Aliphatic acyclic compound</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>0.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.26</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.27</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.67e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.42</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1,1-dimethoxyethane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>90.121</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>90.068079564</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC(C)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H10O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SPEUIVXLLWOEMJ-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>23.71</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>10.03</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</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/>
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  <metabolism/>
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  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72442d41b0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>10795</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>13854808</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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  </targets>
</compound>
