<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:14:38 UTC</creation_date>
  <update_date>2025-11-19 02:26:09 UTC</update_date>
  <accession>FDB019862</accession>
  <name>Potassium sorbate</name>
  <description>Mould inhibitor, preservative for cheese, fruit preserves, baked goods, wine and other foodstuffsand is) also for paper and board food packaging materials. Flavouring ingredient</description>
  <synonyms>
    <synonym>2,4-Hexadienoic acid potassium salt</synonym>
    <synonym>2,4-Hexadienoic acid potassium salt, (E,E)-</synonym>
    <synonym>2,4-Hexadienoic acid, (E,E)-, potassium salt</synonym>
    <synonym>2,4-Hexadienoic acid, potassium salt (1:1)</synonym>
    <synonym>2,4-Hexadienoic acid, potassium salt (1:1), (2E,4E)-</synonym>
    <synonym>2,4-Hexadienoic acid, potassium salt, (2E,4E)-</synonym>
    <synonym>2,4-Hexadienoic acid, potassium salt, (E,E)-</synonym>
    <synonym>2,4-Hexadienoic acid, potassium salt, (E,E)- (9CI)</synonym>
    <synonym>BB powder</synonym>
    <synonym>E202</synonym>
    <synonym>FEMA 2921</synonym>
    <synonym>potassium (2E,4E)-hexa-2,4-dienoate</synonym>
    <synonym>Potassium (e,e')-sorbate</synonym>
    <synonym>Potassium (E,E)-2,4-hexadienoate</synonym>
    <synonym>Potassium (E,E)-hexa-2,4-dienoate</synonym>
    <synonym>Potassium (e,e)-sorbate</synonym>
    <synonym>Potassium 2,4-hexadienoate</synonym>
    <synonym>Potassium 2,4-hexadienoate, (E,E)-</synonym>
    <synonym>potassium hexa-2,4-dienoate</synonym>
    <synonym>Potassium sorbate</synonym>
    <synonym>Potassium sorbate (e)</synonym>
    <synonym>Potassium sorbate (NF)</synonym>
    <synonym>Potassium sorbate [usan]</synonym>
    <synonym>Sorbic acid potassium salt</synonym>
    <synonym>Sorbic acid, potassium salt</synonym>
    <synonym>Sorbic acid, potassium salt, (e,e)-</synonym>
    <synonym>Sorbistat K</synonym>
    <synonym>Sorbistat potassium</synonym>
    <synonym>Sorbistat-potassium</synonym>
    <synonym>trans,trans-2,4-Hexadienoic acid potassium salt</synonym>
    <synonym>Unistat K</synonym>
  </synonyms>
  <chemical_formula>C6H7KO2</chemical_formula>
  <average_molecular_weight>150.2169</average_molecular_weight>
  <monisotopic_moleculate_weight>150.008311329</monisotopic_moleculate_weight>
  <iupac_name>potassium (2E,4E)-hexa-2,4-dienoate</iupac_name>
  <traditional_iupac>potassium (2E,4E)-hexa-2,4-dienoate</traditional_iupac>
  <cas_registry_number>24634-61-5</cas_registry_number>
  <smiles>[K+].C\C=C\C=C\C([O-])=O</smiles>
  <inchi>InChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;</inchi>
  <inchikey>CHHHXKFHOYLYRE-STWYSWDKSA-M</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.</description>
    <direct_parent>Medium-chain fatty acids</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Fatty Acyls</class>
    <sub_class>Fatty acids and conjugates</sub_class>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acid salts</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic potassium salts</alternative_parent>
      <alternative_parent>Unsaturated fatty acids</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid salt</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Medium-chain fatty acid</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic alkali metal salt</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic potassium salt</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Unsaturated fatty acid</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>potassium salt</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.55</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.10</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.19e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>270 °C (decomposition)</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>1.45</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>5.01</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>potassium (2E,4E)-hexa-2,4-dienoate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>150.2169</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>150.008311329</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[K+].C\C=C\C=C\C([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C6H7KO2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>CHHHXKFHOYLYRE-STWYSWDKSA-M</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>40.13</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>44.12</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>11.51</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>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1249723</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1249724</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1249725</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1365025</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1365026</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1365027</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
    <flavor>
      <name>odorless</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
