<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:26:10 UTC</creation_date>
  <update_date>2026-05-14 19:05:47 UTC</update_date>
  <accession/>
  <common_name>SODIUM ACETATE</common_name>
  <class>SmallMolecule</class>
  <description>Sodium acetate is an organic compound with the formula C2H3NaO2 and an average molecular weight of 82.03 g/mol. SODIUM ACETATE belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial settings, the compound serves several roles and uses, acting as a biocide, a pH regulating agent, and a flavouring and nutrient.

The compound is associated with 29 recorded sources across various sectors. Within electrical and electronic equipment, it is found in antennas, amplifiers, communication cables or conductors, contacts, and adjustable resistors, among eight other items. In the category of household cleaning and consumer products, it appears in soap dispensers, tobacco product moisture control, other smoking requisites, pipe accessories, and non electric simulated smoking devices. It is utilized in building and construction for tents or canopies as well as sunshades awnings or outside screens. In the food, food processing and cookware sector, it is linked to the preparation of vinegar, the preparation of wort, the processing of fish, the preparation of wine or sparkling wine, and cellar tools, among two other sources. Additionally, it is used in healthcare, pharmaceuticals and veterinary products as IV solution additives. Recorded exposure routes for sodium acetate include intravenous, intraocular, oral, irrigation, ophthalmic, and hemodialysis.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>SODIUM DIACETATE</synonym>
    <synonym>Sodium diacetate</synonym>
  </synonyms>
  <chemical_formula>C2H3NaO2</chemical_formula>
  <average_molecular_weight>82.0338</average_molecular_weight>
  <monisotopic_moleculate_weight>82.003074015</monisotopic_moleculate_weight>
  <iupac_name>sodium acetate</iupac_name>
  <traditional_iupac>sodium acetate</traditional_iupac>
  <cas_registry_number>977127-84-6</cas_registry_number>
  <smiles>[Na+].CC([O-])=O</smiles>
  <inchi>InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1</inchi>
  <inchikey>VMHLLURERBWHNL-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <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>
    <direct_parent>Acetate salts</direct_parent>
    <alternate_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>
    </alternate_parents>
    <substituents>
      <substituent>Acetate salt</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</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>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>organic sodium salt</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Sodium acetate Drug Metabolism</name>
      <smpdb_id>SMP0130494</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Sodium acetate Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144466</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-0.22</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.20</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.72</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.29e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-0.22</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>4.54</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>sodium acetate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>82.0338</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>82.003074015</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Na+].CC([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C2H3NaO2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VMHLLURERBWHNL-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>23.48</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>4.96</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</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>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726c937278&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB09395</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>517045</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
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</compound>
