<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:48:38 UTC</creation_date>
  <update_date>2026-05-14 19:02:42 UTC</update_date>
  <accession/>
  <common_name>Potassium citrate anhydrous</common_name>
  <class>SmallMolecule</class>
  <description>Potassium citrate anhydrous is an organic compound with the formula C6H5K3O7 and an average molecular weight of 306.39 g/mol. Potassium citrate anhydrous belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

In industrial applications, the compound serves as a pharmaceutical, a fragrance, and a pH regulating agent. It is further utilized as a chelating agent and as processing aids not otherwise specified. Potassium citrate anhydrous is found in or released from 40 recorded sources. Within the category of food, food processing and cookware, it is associated with the preparation of vinegar, the preparation of malt, the preparation of wine or sparkling wine, fermentation processes for beer, and agglomerated sugar products, among others. Its presence is also recorded in building and construction materials, including tents or canopies, roofs, floors, and stairs and ramps. Additionally, it is found in household cleaning and consumer products such as perfumes within detergents and soaps, bleaching agents, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices. Finally, the compound is linked to electrical and electronic equipment, including antennas, communication cables or conductors, discharge lamps, contacts, and cores yokes or armatures.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C6H5K3O7</chemical_formula>
  <average_molecular_weight>306.394</average_molecular_weight>
  <monisotopic_moleculate_weight>305.89464697</monisotopic_moleculate_weight>
  <iupac_name>tripotassium 2-hydroxypropane-1,2,3-tricarboxylate</iupac_name>
  <traditional_iupac>tripotassium citrate</traditional_iupac>
  <cas_registry_number>866-84-2</cas_registry_number>
  <smiles>[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O</smiles>
  <inchi>InChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3</inchi>
  <inchikey>QEEAPRPFLLJWCF-UHFFFAOYSA-K</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Tricarboxylic acids and derivatives</sub_class>
    <direct_parent>Tricarboxylic acids and derivatives</direct_parent>
    <alternate_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>Organic oxides</alternative_parent>
      <alternative_parent>Organic potassium salts</alternative_parent>
      <alternative_parent>Tertiary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid salt</substituent>
      <substituent>Hydrocarbon derivative</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>Tertiary alcohol</substituent>
      <substituent>Tricarboxylic acid or derivatives</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>potassium salt</descriptor>
    </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>-1.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.70</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.89</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.94e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-1.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>3.05</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>tripotassium 2-hydroxypropane-1,2,3-tricarboxylate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>306.394</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>305.89464697</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H5K3O7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>QEEAPRPFLLJWCF-UHFFFAOYSA-K</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>140.62</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>68.14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>14.23</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-3</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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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7268978f38&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB09125</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>13344</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>12775</chemspider_id>
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  <wikipidia/>
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</compound>
