Showing Compound Sodium carbonate (FDB015391)

Record Information

Version

1.0

Creation date

2010-04-08 22:11:49 UTC

Update date

2018-05-29 01:18:39 UTC

Primary ID

FDB015391

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Sodium carbonate

Description

Sodium 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 Number

497-19-8

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Disodium carbonate	ChEBI
Na2co3	ChEBI
Natriumkarbonat	ChEBI
Sodium carbonate, dried	Kegg
Disodium carbonic acid	Generator
Sodium carbonic acid, dried	Generator
Sodium carbonic acid	Generator
Sodium carbonate decahydrate	MeSH
Sodium carbonate (2:3), dihydrate	MeSH
Disodium carbonate, 14C-labeled CPD	MeSH
Disodium carbonate, monohydrate	MeSH
Monosodium carbonate, 14C-labeled CPD	MeSH
Monosodium carbonate, monohydrate	MeSH
Sodium carbonate, hydrate	MeSH
Disodium carbonate, heptahydrate	MeSH
Sodium carbonate (4:5)	MeSH
Bisodium carbonate	biospider
Carbonic acid disodium salt, 8CI	db_source
Carbonic acid sodium salt	biospider
Disodium trioxidocarbonate	biospider
E500	db_source
Soda ash	db_source
Sodium carbonate (Na2(CO3))	biospider

Predicted Properties

Property	Value	Source
Water Solubility	607 g/L	ALOGPS
logP	-0.34	ALOGPS
logP	0.25	ChemAxon
logS	0.76	ALOGPS
pKa (Strongest Acidic)	6.05	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	63.19 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	31.17 m³·mol⁻¹	ChemAxon
Polarizability	3.52 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

CNa2O3

IUPAC name

disodium carbonate

InChI Identifier

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

InChI Key

CDBYLPFSWZWCQE-UHFFFAOYSA-L

Isomeric SMILES

[Na+].[Na+].[O-]C([O-])=O

Average Molecular Weight

105.9884

Monoisotopic Molecular Weight

105.964283216

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.

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 sodium salt
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

carbonate salt (CHEBI:29377 )
organic sodium salt (CHEBI:29377 )

Ontology

No ontology term

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	C 11.33%; Na 43.38%; O 45.29%	DFC
Melting Point	Mp 850°	DFC
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
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	Sodium carbonate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0a4i-0900000000-9c5ce89b0d51807771b9	Spectrum

MS/MS

Not Available

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

10340

Pubchem Substance ID

Not Available

ChEBI ID

29377

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

KBT01-C:KBT01-C

EAFUS ID

3421

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

rw1099821

SuperScent ID

Not Available

Wikipedia ID

Sodium_carbonate

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

Showing Compound Sodium carbonate (FDB015391)

Structure for FDB015391 (Sodium carbonate)