Record Information
Version1.0
Creation date2010-04-08 22:11:49 UTC
Update date2018-05-29 01:18:39 UTC
Primary IDFDB015391
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium carbonate
DescriptionSodium carbonate, also known as NA2CO3 or natriumkarbonat, belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group. Sodium carbonate is a very weakly acidic compound (based on its pKa). Sodium carbonate is an odorless tasting compound.
CAS Number497-19-8
Structure
Thumb
Synonyms
SynonymSource
Disodium carbonateChEBI
Na2co3ChEBI
NatriumkarbonatChEBI
Sodium carbonate, driedKegg
Disodium carbonic acidGenerator
Sodium carbonic acid, driedGenerator
Sodium carbonic acidGenerator
Sodium carbonate decahydrateMeSH
Sodium carbonate (2:3), dihydrateMeSH
Disodium carbonate, 14C-labeled CPDMeSH
Disodium carbonate, monohydrateMeSH
Monosodium carbonate, 14C-labeled CPDMeSH
Monosodium carbonate, monohydrateMeSH
Sodium carbonate, hydrateMeSH
Disodium carbonate, heptahydrateMeSH
Sodium carbonate (4:5)MeSH
Bisodium carbonatebiospider
Carbonic acid disodium salt, 8CIdb_source
Carbonic acid sodium saltbiospider
Disodium trioxidocarbonatebiospider
E500db_source
Soda ashdb_source
Sodium carbonate (Na2(CO3))biospider
Predicted Properties
PropertyValueSource
Water Solubility607 g/LALOGPS
logP-0.34ALOGPS
logP0.25ChemAxon
logS0.76ALOGPS
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 FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCNa2O3
IUPAC namedisodium carbonate
InChI IdentifierInChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
InChI KeyCDBYLPFSWZWCQE-UHFFFAOYSA-L
Isomeric SMILES[Na+].[Na+].[O-]C([O-])=O
Average Molecular Weight105.9884
Monoisotopic Molecular Weight105.964283216
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.
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 sodium salt
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 11.33%; Na 43.38%; O 45.29%DFC
Melting PointMp 850°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
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 KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-0900000000-9c5ce89b0d51807771b9JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID10340
Pubchem Substance IDNot Available
ChEBI ID29377
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBT01-C:KBT01-C
EAFUS ID3421
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1099821
SuperScent IDNot Available
Wikipedia IDSodium_carbonate
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