Record Information
Version1.0
Creation date2010-04-08 22:11:50 UTC
Update date2018-05-29 01:18:48 UTC
Primary IDFDB015415
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium hydrogen carbonate
DescriptionIt 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 Number298-14-6
Structure
Thumb
Synonyms
SynonymSource
e501ChEBI
KHCO3ChEBI
Monopotassium carbonateChEBI
Potassium acid carbonateChEBI
Potassium bicarbonateChEBI
Potassium hydrogen carbonic acidGenerator
Monopotassium carbonic acidGenerator
Potassium acid carbonic acidGenerator
Potassium bicarbonic acidGenerator
Potassium hydrocarbonateMeSH
Carbonic acid, monopotassium salt, 8CIdb_source
Carbonic acid, potassium saltbiospider
E501?db_source
Potassium bicarbonate, USANdb_source
Potassium carbonatedb_source
Potassium hydrogencarbonatebiospider
Predicted Properties
PropertyValueSource
Water Solubility681 g/LALOGPS
logP-0.08ALOGPS
logP0.25ChemAxon
logS0.83ALOGPS
pKa (Strongest Acidic)6.05ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area60.36 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity20.34 m³·mol⁻¹ChemAxon
Polarizability3.86 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCHKO3
IUPAC namepotassium hydrogen carbonate
InChI IdentifierInChI=1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
InChI KeyTYJJADVDDVDEDZ-UHFFFAOYSA-M
Isomeric SMILES[K+].OC([O-])=O
Average Molecular Weight100.1151
Monoisotopic Molecular Weight99.956275759
Classification
DescriptionThis compound belongs to the class of chemical entities known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic acids and derivatives
Sub ClassOrganic carbonic acids and derivatives
Direct ParentOrganic 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 FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 12.00%; H 1.01%; K 39.05%; O 47.94%DFC
Melting Point292 °C
Boiling PointNot Available
Experimental Water Solubility263 mg/mLMERCK INDEX (1996)
Experimental logPNot Available
Experimental pKa8.2 (0.1M)
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0005-9000000000-2f33a7dbccf10deaaed8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot AvailableView in JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC18606
Pubchem Compound ID516893
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBX71-R:KBX71-R
EAFUS ID3110
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1099511
SuperScent IDNot Available
Wikipedia IDPotassium_bicarbonate
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