Showing Compound Potassium hydrogen carbonate (FDB015415)

Record Information

Version

1.0

Creation date

2010-04-08 22:11:50 UTC

Update date

2025-11-19 00:54:54 UTC

Primary ID

FDB015415

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Potassium hydrogen carbonate

Description

It is used in foodstuffs as a pH control agent, formulation aid, processing aid and nutrient supplement (potassium)and is) also used in the production of cacao nibs Potassium bicarbonate (also known as potassium hydrogen carbonate or potassium acid carbonate) is a colorless, odorless, slightly basic, salty substance. It is used as a source of carbon dioxide for leavening in baking. It is used as a base in foods to regulate pH. It is a common ingredient in club soda, where it is used to soften the effect of effervescence.

CAS Number

298-14-6

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
e501	ChEBI
KHCO3	ChEBI
Monopotassium carbonate	ChEBI
Potassium acid carbonate	ChEBI
Potassium hydrogencarbonate	Kegg
Potassium hydrogen carbonate	Kegg
K-Vescent	Kegg
Monopotassium carbonic acid	Generator
Potassium acid carbonic acid	Generator
Potassium hydrogencarbonic acid	Generator
Potassium hydrogen carbonic acid	Generator
Potassium bicarbonic acid	Generator
Potassium bicarbonate	ChEBI
Potassium hydrocarbonate	MeSH
Carbonic acid, monopotassium salt, 8CI	db_source
Carbonic acid, potassium salt	biospider
E501?	db_source
Potassium bicarbonate, USAN	db_source
Potassium carbonate	db_source

Predicted Properties

Property	Value	Source
Water Solubility	681 g/L	ALOGPS
logP	-0.08	ALOGPS
logP	0.25	ChemAxon
logS	0.83	ALOGPS
pKa (Strongest Acidic)	6.05	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	60.36 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	20.34 m³·mol⁻¹	ChemAxon
Polarizability	3.86 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

Chemical Formula

CHKO3

IUPAC name

potassium hydrogen carbonate

InChI Identifier

InChI=1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1

InChI Key

TYJJADVDDVDEDZ-UHFFFAOYSA-M

Isomeric SMILES

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

Average Molecular Weight

100.1151

Monoisotopic Molecular Weight

99.956275759

Classification

Description

Belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic carbonic acids and derivatives

Sub Class

Organic carbonic acids

Direct Parent

Organic carbonic acids

Alternative Parents

Substituents

Carbonate salt
Carbonic acid
Organic alkali metal salt
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic potassium salt
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

potassium salt (CHEBI:81862 )
organic salt (CHEBI:81862 )

Ontology

No ontology term

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	C 12.00%; H 1.01%; K 39.05%; O 47.94%	DFC
Melting Point	292 °C
Boiling Point	Not Available
Experimental Water Solubility	263 mg/mL	MERCK INDEX (1996)
Experimental logP	Not Available
Experimental pKa	8.2 (0.1M)
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Potassium hydrogen carbonate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0005-9000000000-2f33a7dbccf10deaaed8	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-2900000000-abc30e1105be977daf42	2019-02-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-3900000000-d484fe0d73e0ea0fc0d7	2019-02-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0pb9-9300000000-0ba44120ca3c198e3380	2019-02-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9000000000-d7d7bdcb270afc74ff37	2019-02-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0002-9000000000-d7d7bdcb270afc74ff37	2019-02-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0002-9000000000-d7d7bdcb270afc74ff37	2019-02-23	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

ChEMBL ID

KEGG Compound ID

Pubchem Compound ID

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

KBX71-R:KBX71-R

EAFUS ID

3110

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

rw1099511

SuperScent ID

Not Available

Wikipedia ID

Potassium_bicarbonate

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Flavor	Citations
odorless	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference