<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-27 01:56:15 UTC</creation_date>
  <update_date>2026-04-03 08:53:13 UTC</update_date>
  <accession/>
  <common_name>glycolaldehyde</common_name>
  <class>SmallMolecule</class>
  <description>Glycolaldehyde is an organic compound with the chemical formula C2H4O2 and an average molecular weight of 60.05 g/mol. Glycolaldehyde belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds.

The substance is found in or released from 56 recorded sources. Within the category of electrical and electronic equipment, these sources include amplifiers, antennas, coils, adjustable resistors, and auxiliary devices. In the domain of household cleaning and consumer products, it is associated with bleaching agents, perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, and other smoking requisites.

Glycolaldehyde is also linked to various food, food processing, and cookware sources, specifically the preparation of malt, food preservation, fermentation processes for beer, brew kettles, and agglomerated sugar products. Additionally, it is found in building and construction materials, including floors, ceilings, roofs, fencing, and sunshades awnings or outside screens.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C2H4O2</chemical_formula>
  <average_molecular_weight>60.052</average_molecular_weight>
  <monisotopic_moleculate_weight>60.021129372</monisotopic_moleculate_weight>
  <iupac_name>2-hydroxyacetaldehyde</iupac_name>
  <traditional_iupac>glycolaldehyde</traditional_iupac>
  <cas_registry_number>141-46-8</cas_registry_number>
  <smiles>OCC=O</smiles>
  <inchi>InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2</inchi>
  <inchikey>WGCNASOHLSPBMP-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Carbonyl compounds</sub_class>
    <direct_parent>Short-chain aldehydes</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Primary alcohol</substituent>
      <substituent>Short-chain aldehyde</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>a small molecule</descriptor>
      <descriptor>glycolaldehydes</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Vitamin B6 Metabolism</name>
      <smpdb_id>SMP0000017</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Hypophosphatasia</name>
      <smpdb_id>SMP0000503</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Hypophosphatasia</name>
      <smpdb_id>SMP0125622</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.99</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>1.08</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.25e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-1.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>14.27</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2-hydroxyacetaldehyde</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>60.052</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>60.021129372</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OCC=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C2H4O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WGCNASOHLSPBMP-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>37.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>13.42</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>5.32</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</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:0x00007f3bf31603d8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>756</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>736</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
