Record Information
Version1.0
Creation date2010-04-08 22:15:06 UTC
Update date2018-05-29 01:47:08 UTC
Primary IDFDB020551
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium citrate
DescriptionAlkalising and buffering agent. It is used in foods, beverages and oral pharmaceutical formulations. More sol. than Na salts; also used in low-Na foods and as a potassium source in nutritional supplements Potassium citrate is an effective way to treat/manage gout and arrhythmia, if the patient is hypokalemic. In common with other substances that render the urine alkaline, it may be used to reduce the danger of crystalluria during sulfonamide therapy. Potassium citrate is found in beverages.
CAS Number866-84-2
Structure
Thumb
Synonyms
SynonymSource
Potassium citric acidGenerator
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium saltbiospider
866-84-2 (anhydrous)biospider
Acalkabiospider
Citric acid tripotassium saltbiospider
Citric acid, potassium saltbiospider
Citric acid, tripotassium saltbiospider
Citric acid, tripotassium salt, monohydratebiospider
E332db_source
Kajosbiospider
Kaliksirbiospider
Litocitbiospider
Polycitra kbiospider
Porekalbiospider
Potassium citratedb_source
Potassium citrate (anhydrous)biospider
Potassium citrate anhydrousbiospider
Potassium citrate monohydratebiospider
Potassium citrate tribasic monohydratebiospider
Potassium tribasic citratebiospider
Seltz-kbiospider
Tripotassium citratedb_source
Tripotassium citrate monohydratebiospider
Urocit Kdb_source
Urocit K Srt 540mgbiospider
Urocit-kbiospider
Predicted Properties
PropertyValueSource
logP-1.3ChemAxon
pKa (Strongest Acidic)3.05ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area132.13 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity35.62 m³·mol⁻¹ChemAxon
Polarizability15.5 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC6H8K3O7
IUPAC nametripotassium 2-hydroxypropane-1,2,3-tricarboxylic acid
InChI IdentifierInChI=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
InChI KeyQEEAPRPFLLJWCF-UHFFFAOYSA-N
Isomeric SMILES[K+].[K+].[K+].OC(=O)CC(O)(CC(O)=O)C(O)=O
Average Molecular Weight309.4184
Monoisotopic Molecular Weight308.918123193
Classification
DescriptionThis compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassTricarboxylic acids and derivatives
Direct ParentTricarboxylic acids and derivatives
Alternative Parents
Substituents
  • Tricarboxylic acid or derivatives
  • Hydroxy acid
  • Alpha-hydroxy acid
  • Tertiary alcohol
  • Organic alkali metal salt
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic potassium salt
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Organic cation
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointMp 275° dec.DFC
Boiling PointNot Available
Experimental Water Solubility606 mg/mLMERCK INDEX (1996)
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID13344
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHJD14-D:MTQ49-Z
EAFUS ID3120
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1352921
SuperScent IDNot Available
Wikipedia IDPotassium_citrate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference