POTASSIUM CITRATE (CED0001056)

Record Information

Version

1.0

Creation Date

2016-05-19 02:23:23 UTC

Update Date

2026-04-17 17:56:40 UTC

Accession Number

CHEM007262

Identification

Common Name

POTASSIUM CITRATE

Class

Small Molecule

Description

Potassium citrate is an organic compound with the formula C6H7K3O8 and an average molecular weight of 324.41 g/mol. POTASSIUM CITRATE belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, the compound serves multiple roles and uses, acting as a pH regulating agent, an emulsifier, a chelating agent, and a flavouring and nutrient. It is further utilized as a processing aid not otherwise specified. Potassium citrate is found in or released from four recorded sources, including food, food processing and cookware—specifically processing meats—as well as healthcare, pharmaceuticals and veterinary products where it is listed as potassium. It is also present in household cleaning and consumer products, such as tobacco product cases and tobacco product moisture control. Recorded exposure routes for this compound include oral and dental pathways.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Potassium citrate	ChEBI
Potassium citrate.H2O	ChEBI
Tripotassium citrate monohydrate	ChEBI
Urocit-K	ChEBI
Potassium citric acid	Generator
Potassium citric acid.H2O	Generator
Tripotassium citric acid monohydric acid	Generator
Potassium citric acid monohydric acid	Generator
Tripotassium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydric acid	Generator
Anhydrous, potassium citrate	MeSH
Citrate, potassium	MeSH
Potassium citrate anhydrous	MeSH

Chemical Formula

C₆H₇K₃O₈

Average Molecular Mass

324.409 g/mol

Monoisotopic Mass

323.905 g/mol

CAS Registry Number

6100-05-6

IUPAC Name

tripotassium 2-hydroxypropane-1,2,3-tricarboxylate hydrate

Traditional Name

tripotassium citrate hydrate

SMILES

O.[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

InChI Identifier

InChI=1S/C6H8O7.3K.H2O/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);;;;1H2/q;3*+1;/p-3

InChI Key

PJAHUDTUZRZBKM-UHFFFAOYSA-K

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Tertiary alcohol
Carboxylic acid salt
Organic alkali metal salt
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic potassium salt
Organic salt
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

hydrate (CHEBI:64746 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	39.4 g/L	ALOGPS
logP	-0.7	ALOGPS
logP	-1.3	ChemAxon
logS	-0.89	ALOGPS
pKa (Strongest Acidic)	3.05	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	140.62 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	68.14 m³·mol⁻¹	ChemAxon
Polarizability	14.23 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
3104.0	Log mg/kg	[1700:5500]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
267	Potassium	Healthcare, pharmaceuticals & veterinary products	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
567	Tobacco Product Cases	Household cleaning & consumer products	Not Available
568	Tobacco Product Moisture Control	Household cleaning & consumer products	Not Available

Pathways

2 pathways

Potassium citrate Drug Metabolism

Potassium citrate Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carnitine O-palmitoyltransferase 2, mitochondrial	P23786	Humans	Predicted (SEA)	1786.02
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	2054.67
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	4.28171
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	1748.73
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	5900.89
Click to view 3D structure	Excitatory amino acid transporter 3	P51907	Rattus norvegicus	Predicted (SEA)	47.488
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	63.6028
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	812.201
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	72.3998
Click to view 3D structure	Isopentenyl-diphosphate Delta-isomerase 1	O35760	Rattus norvegicus	Predicted (SEA)	4.5931
Click to view 3D structure	Farnesyl pyrophosphate synthase	P05369	Rattus norvegicus	Predicted (SEA)	4.5931
Click to view 3D structure	Perilipin-1	O60240	Humans	Predicted (SEA)	4347.49
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	80.5739
Click to view 3D structure	Solute carrier family 13 member 2	Q13183	Humans	Predicted (SEA)	586.516
Click to view 3D structure	Na(+)/citrate cotransporter	Q8CJ44	Rattus norvegicus	Predicted (SEA)	586.516
Click to view 3D structure	Na(+)/citrate cotransporter	Q67BT3	Mus musculus	Predicted (SEA)	586.516
Click to view 3D structure	3-dehydroquinate dehydratase	P15474	Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)	Predicted (SEA)	14.8692
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	Q4QKG6	Haemophilus influenzae (strain 86-028NP)	Predicted (SEA)	703.835
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	77.2264
Click to view 3D structure	3-dehydroquinate dehydratase	Q48255	Helicobacter pylori (strain ATCC 700392 / 26695)	Predicted (SEA)	9.809
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	44.6076
Click to view 3D structure	ATP-citrate synthase	P16638	Rattus norvegicus	Predicted (SEA)	24.4447
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	6.77288
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	154.375
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	65.0041