SODIUM FUMARATE
Relevant Data
Food Additives Approved in the United States
General Information
| Synonyms: | MONOSODIUM FUMARATE |
| Chemical Names: | MONOSODIUM FUMARATE; MONOSODIUM trans-1-2-ETHYLENEDICARBOXYLATE; trans-BUTENEDIOIC ACID; MONOSODIUM trans-1,2-ETHYLENEDICARBOXYLIC ACID |
| CAS number: | 7704-73-6 |
| INS: | 365 |
| Functional Class: |
Food Additives ACIDITY_REGULATOR FLAVOUR_ENHANCER |
From apps.who.int
Evaluations
| Evaluation year: | 1989 |
| ADI: | NOT SPECIFIED |
| Meeting: | 35 |
| Specs Code: | R (1986) |
| Comments: | The 1989 group ADI of "not specified" for fumaric acid and its salts was maintained at the fifty-third meeting (1999). |
| Report: | TRS 789-JECFA 35/18 |
| Tox Monograph: | FAS 67.29/NMRS 40A,B,C-JECFA 9/135 (1965; FUMARIC ACID) |
| Specification: | COMPENDIUM ADDENDUM 10/FNP 52 Add.10/34 (METALS LIMITS) (2002). R; FAO JECFA Monographs 1 vol.3/341 |
From apps.who.int
GSFA Provisions for SODIUM FUMARATE
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 14.1.5 | Coffee, coffee substitutes, tea, herbal infusions, and other hot cereal and grain beverages, excluding cocoa |
GMP | Note 160 |
| 09.2.2 | Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note XS166,Note 41 |
| 09.2.3 | Frozen minced and creamed fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 16 |
| 09.2.5 | Smoked, dried, fermented, and/or salted fish and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 267,Note 266 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 6364607 |
| IUPAC Name | disodium;(E)-but-2-enedioate |
| InChI | InChI=1S/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+;; |
| InChI Key | MSJMDZAOKORVFC-SEPHDYHBSA-L |
| Canonical SMILES | C(=CC(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Molecular Formula | C4H2Na2O4 |
| Wikipedia | disodium (2E)-but-2-enedioate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 160.036 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 108.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Q B g 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 G g A A A A A A C A C A g A A A C A A A A A C I A C D S C A A A A A A A A A A I C A A A A E A A B A A A A A A A E A A A A A A A A Y 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 | 80.3 |
| Monoisotopic Mass | 159.975 |
| Exact Mass | 159.975 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Dicarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dicarboxylic acids and derivatives |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
From ClassyFire