SODIUM DL-MALATE
General Information
| Synonyms: | MALIC ACID SODIUM SALT |
| Chemical Names: | DISODIUM DL-MALATE; HYDROXYBUTANEDIOIC ACID DISODIUM SALT |
| CAS number: | 676-46-0 |
| INS: | 350(ii) |
| Functional Class: |
Flavouring Agent FLAVOURING_AGENT Food Additives ACIDITY_REGULATOR |
From apps.who.int
Evaluations
| Evaluation year: | 1979 |
| ADI: | NOT SPECIFIED |
| Meeting: | 23 |
| Specs Code: | R (1986) |
| Comments: | Included in the group ADI for DL-malic acid and its sodium, potassium, and calcium salts |
| Report: | TRS 648-JECFA 23/31 |
| Tox Monograph: | NOT PREPARED |
| Specification: | FAO JECFA Monographs 3-JECFA 67/49. R |
From apps.who.int
GSFA Provisions for SODIUM DL-MALATE
| 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 41,Note XS166 |
| 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,Note 333 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 8736 |
| IUPAC Name | disodium;2-hydroxybutanedioate |
| InChI | InChI=1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2 |
| InChI Key | WPUMTJGUQUYPIV-UHFFFAOYSA-L |
| Canonical SMILES | C(C(C(=O)[O-])O)C(=O)[O-].[Na+].[Na+] |
| Molecular Formula | Hemihydrate: C4H4Na2O5½ H2O; Trihydrate: C4H4Na2O53H2O |
| Wikipedia | sodium malate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 178.051 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Complexity | 118.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Y 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 C A A A C B S g g A I A C A A A A g A I A A C Q C A I A A A A A A A A A A A F A A A A B E B Q A A A A A Q A A F I A A B A A B 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 = = |
| Topological Polar Surface Area | 101.0 |
| Monoisotopic Mass | 177.985 |
| Exact Mass | 177.985 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| 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 | Hydroxy acids and derivatives |
| Subclass | Beta hydroxy acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta hydroxy acids and derivatives |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Beta-hydroxy acid - Short-chain hydroxy acid - Dicarboxylic acid or derivatives - Fatty acid - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organic sodium salt - Organic salt - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. |
From ClassyFire