SODIUM ASCORBATE

Relevant Data

Food Additives Approved in the United States

SODIUM ASCORBATE [show][hide]

Mainterm SODIUM ASCORBATE

Doc Type ASP

CAS number 134-03-2

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Food Additives Approved by European Union:

Sodium ascorbate [show]

General Information

Chemical Names:	SODIUM ASCORBATE; SODIUM L-ASCORBATE; 3-KETO-L-GULOFURANO-LACTONE SODIUM ENOLATE; 2,3-DIDEHYDRO-L-THREO-HEXONO-1,4-LACTONE SODIUM ENOLATE
CAS number:	134-03-2
INS:	301
Functional Class:	Food Additives ANTIOXIDANT

From apps.who.int

Evaluations

Evaluation year:	1981
ADI:	NOT SPECIFIED
Meeting:	25
Specs Code:	R (1973)
Comments:	Group ADI for ascorbic acid and its sodium, potassium, and calcium salts
Report:	TRS 669-JECFA 25/43
Tox Monograph:	FAS 5/NMRS 53A-JECFA 17/143 (1973)
Specification:	COMPENDIUM ADDENDUM 11/FNP 52 Add. 11/89 (METALS LIMITS) (2003). FAO JECFA Monographs 1 vol.3/307

From apps.who.int

GSFA Provisions for SODIUM ASCORBATE

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
13.2	Complementary foods for infants and young children	500 mg/kg	Note 320,Note 317,Note 319
14.1.2.3	Concentrates for fruit juice	GMP	Note 127
14.1.3.3	Concentrates for fruit nectar	GMP	Note 127
06.4.2	Dried pastas and noodles and like products	200 mg/kg	Note 256
13.1.2	Follow-up formulae	50 mg/kg	Note 316,Note 70,Note 315,Note 72
08.1.2	Fresh meat, poultry, and game, comminuted	GMP	Note 281
09.1.2	Fresh mollusks, crustaceans, and echinoderms	GMP	Note XS315,Note 390,Note XS312
09.2	Processed fish and fish products, including mollusks, crustaceans, and echinoderms	GMP	Note XS92,Note XS222,Note XS315,Note XS191,Note XS189,Note 392,Note XS312,Note XS236,Note 307
12.1.2	Salt Substitutes	GMP	Note 314

From www.fao.org

Computed Descriptors

2D Structure
CID	23667548
IUPAC Name	sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate
InChI	InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1
InChI Key	PPASLZSBLFJQEF-RXSVEWSESA-M
Canonical SMILES	C(C(C1C(=C(C(=O)O1)O)[O-])O)O.[Na+]
Molecular Formula	C6H7O6Na
Wikipedia	sodium ascorbate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	198.106
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Complexity	237.0
CACTVS Substructure Key Fingerprint	A A A D c Y B g O C A A A A A A A A A A A A A A A A A A A Q 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 B g C I A A D Q C A I A A A A g I A A A C A B A A E g B F A A A I A A C U A A F w A A L I Q J 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	110.0
Monoisotopic Mass	198.014
Exact Mass	198.014
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	13
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dihydrofurans
Subclass	Furanones
Intermediate Tree Nodes	Not available
Direct Parent	Butenolides
Alternative Parents	Monocarboxylic acids and derivatives Primary alcohols Hydrocarbon derivatives Lactones Organic oxides Organic zwitterions Organic sodium salts Enoate esters Vinylogous acids Oxacyclic compounds Carbonyl compounds Secondary alcohols 1,2-diols
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	2-furanone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - 1,2-diol - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic oxygen compound - Primary alcohol - Organooxygen compound - Alcohol - Carbonyl group - Organic salt - Organic sodium salt - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.

From ClassyFire