<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 06:04:35 UTC</creation_date>
  <update_date>2026-04-17 15:55:38 UTC</update_date>
  <accession/>
  <common_name>(E)-2-Nonenal</common_name>
  <class>SmallMolecule</class>
  <description>(E)-2-Nonenal is an organic compound with the formula C9H16O and an average molecular weight of 140.22 g/mol. (E)-2-Nonenal belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds.

Industrially, this substance is utilized as a fragrance, as well as a flavouring and nutrient. It is found in or released from six recorded sources. Within the category of food, food processing and cookware, it is associated with food contact materials and the preparation of malt, wine or sparkling wine, and wort, as well as the treatment of hops. Additionally, it is found in household cleaning and consumer products, specifically pipe accessories. Recorded exposure routes for this compound include inhalation, oral, and touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(2E)-non-2-enal</synonym>
  </synonyms>
  <chemical_formula>C9H16O</chemical_formula>
  <average_molecular_weight>140.2227</average_molecular_weight>
  <monisotopic_moleculate_weight>140.120115134</monisotopic_moleculate_weight>
  <iupac_name>(2E)-non-2-enal</iupac_name>
  <traditional_iupac>2-nonenal</traditional_iupac>
  <cas_registry_number>18829-56-6</cas_registry_number>
  <smiles>CCCCCC\C=C\C=O</smiles>
  <inchi>InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+</inchi>
  <inchikey>BSAIUMLZVGUGKX-BQYQJAHWSA-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>Medium-chain aldehydes</direct_parent>
    <alternate_parents>
      <alternative_parent>Enals</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alpha,beta-unsaturated aldehyde</substituent>
      <substituent>Enal</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Medium-chain aldehyde</substituent>
      <substituent>Organic oxide</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Fatty aldehydes</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.98</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(2E)-non-2-enal</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>140.2227</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>140.120115134</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCC\C=C\C=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H16O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BSAIUMLZVGUGKX-BQYQJAHWSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>17.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>45.04</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>17.94</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</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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  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>5283335</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>4446456</chemspider_id>
  <kegg_id/>
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</compound>
