SODIUM SESQUICARBONATE
Relevant Data
Food Additives Approved in the United States
General Information
| Synonyms: | SODIUM MONOHYDROGENDICARBONATE |
| Chemical Names: | SODIUM SESQUICARBONATE |
| CAS number: | 533-96-0 |
| INS: | 500(iii) |
| Functional Class: |
Food Additives ACIDITY_REGULATOR |
From apps.who.int
Evaluations
| Evaluation year: | 1981 |
| ADI: | NOT SPECIFIED |
| Meeting: | 25 |
| Specs Code: | R (1984) |
| Comments: | Included in the group ADI for carbonates and bicarbonates |
| Report: | TRS 669-JECFA 25/33 |
| Tox Monograph: | NOT PREPARED |
| Specification: | COMPENDIUM ADDENDUM 10/FNP 52 Add.10/34 (METALS LIMITS) (2002). R; FAO JECFA Monographs 1 vol.3/383 |
From apps.who.int
GSFA Provisions for SODIUM SESQUICARBONATE
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 09.2.2 | Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 41 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 10791 |
| IUPAC Name | trisodium;hydrogen carbonate;carbonate |
| InChI | InChI=1S/2CH2O3.3Na/c2*2-1(3)4;;;/h2*(H2,2,3,4);;;/q;;3*+1/p-3 |
| InChI Key | WCTAGTRAWPDFQO-UHFFFAOYSA-K |
| Canonical SMILES | C(=O)(O)[O-].C(=O)([O-])[O-].[Na+].[Na+].[Na+] |
| Molecular Formula | Na2CO3· NaHCO3· 2H2O |
| Wikipedia | sodium sesquicarbonate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 189.993 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Complexity | 43.5 |
| CACTVS Substructure Key Fingerprint | A A A D c Q B A O D A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A g A A C A A A A A A A A A A A C A A A A g A I A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 124.0 |
| Monoisotopic Mass | 189.947 |
| Exact Mass | 189.947 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 5 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic carbonic acids and derivatives |
| Subclass | Organic carbonic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic carbonic acids |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Carbonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group. |
From ClassyFire