<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:11:45 UTC</creation_date>
  <update_date>2025-11-19 00:53:42 UTC</update_date>
  <accession>FDB015271</accession>
  <name>Sodium propionate</name>
  <description>Antimicrobial agent used in cheese and other foods</description>
  <synonyms>
    <synonym>Bioban-s</synonym>
    <synonym>Deketon</synonym>
    <synonym>E281</synonym>
    <synonym>Impedex</synonym>
    <synonym>Keenate</synonym>
    <synonym>Luprosil sodium salt</synonym>
    <synonym>Napropion</synonym>
    <synonym>Natriumpropionat</synonym>
    <synonym>Ocuseptine</synonym>
    <synonym>Propanoic acid, sodium salt</synonym>
    <synonym>Propanoic acid, sodium salt (1:1)</synonym>
    <synonym>Propanoic acid, sodium salt (2:1)</synonym>
    <synonym>Propanoic acid, sodium salt, hydrate</synonym>
    <synonym>Propi-ophtal</synonym>
    <synonym>Propiofar</synonym>
    <synonym>Propion</synonym>
    <synonym>Propionan sodny</synonym>
    <synonym>Propionic acid sodium salt</synonym>
    <synonym>Propionic acid sodium salt, anhydrous</synonym>
    <synonym>Propionic acid, sodium salt</synonym>
    <synonym>Propisol</synonym>
    <synonym>Sodium dipropionate</synonym>
    <synonym>Sodium hydrogen dipropionate</synonym>
    <synonym>Sodium propanoate</synonym>
    <synonym>Sodium propionate</synonym>
    <synonym>Sodium propionate (anhydrous)</synonym>
    <synonym>Sodium propionate anhydrous</synonym>
    <synonym>Sodium propionate hydrate</synonym>
    <synonym>SPAC</synonym>
    <synonym>Whit-pro</synonym>
  </synonyms>
  <chemical_formula>C3H5NaO2</chemical_formula>
  <average_molecular_weight>96.0604</average_molecular_weight>
  <monisotopic_moleculate_weight>96.018724079</monisotopic_moleculate_weight>
  <iupac_name>sodium propanoate</iupac_name>
  <traditional_iupac>sodium propionate</traditional_iupac>
  <cas_registry_number>137-40-6</cas_registry_number>
  <smiles>[Na+].CCC([O-])=O</smiles>
  <inchi>InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1</inchi>
  <inchikey>JXKPEJDQGNYQSM-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.</description>
    <direct_parent>Carboxylic acid salts</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Carboxylic acid derivatives</sub_class>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Carbonyl compounds</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 sodium salts</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid salt</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic alkali metal salt</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organic sodium salt</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.49</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.47</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.86e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>289 °C</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>0.48</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>4.75</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>sodium propanoate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>96.0604</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>96.018724079</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Na+].CCC([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C3H5NaO2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>JXKPEJDQGNYQSM-UHFFFAOYSA-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>28.11</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>6.84</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>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>1307221</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1307222</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1307223</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1421734</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1421735</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1421736</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>bland</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
