Record Information
Version1.0
Creation Date2016-05-19 02:23:21 UTC
Update Date2016-11-09 01:09:53 UTC
Accession NumberCHEM007261
Identification
Common NamePOTASSIUM CARBONATE
ClassSmall Molecule
DescriptionA potassium salt that is the dipotassium salt of carbonic acid.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • OECD HPV Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Carbonate OF potashChEBI
Carbonic acid, dipotassium saltChEBI
K2CO3ChEBI
KaliumcarbonatChEBI
Potassium carbonate, anhydrousChEBI
RacolKegg
Carbonic acid OF potashGenerator
Carbonate, dipotassium saltGenerator
Potassium carbonic acid, anhydrousGenerator
Potassium carbonic acidGenerator
Potassium carbonic acid (K2co3)Generator
Potassium carbonate sesquihydrateMeSH
Chemical FormulaCK2O3
Average Molecular Mass138.206 g/mol
Monoisotopic Mass137.912 g/mol
CAS Registry Number584-08-7
IUPAC Namedipotassium carbonate
Traditional Namedipotassium carbonate
SMILES[K+].[K+].[O-]C([O-])=O
InChI IdentifierInChI=1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
InChI KeyBWHMMNNQKKPAPP-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
Sub ClassOrganic carbonic acids
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 DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility303 g/LALOGPS
logP-0.49ALOGPS
logP0.25ChemAxon
logS0.34ALOGPS
pKa (Strongest Acidic)6.05ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area63.19 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity31.17 m³·mol⁻¹ChemAxon
Polarizability3.52 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0900000000-c27364edbd8fcda13a93Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0900000000-74def42d27af02dc291bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-5900000000-6a3c33362851b6eac1a9Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0303534
FooDB IDFDB015412
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkPotassium_carbonate
Chemspider ID10949
ChEBI ID131526
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=26638140
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=26656574
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=26810599
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=26848047