CALCIUM ASCORBATE

Relevant Data

Food Additives Approved in the United States

CALCIUM ASCORBATE [show][hide]

Mainterm CALCIUM ASCORBATE

Doc Type ASP

CAS number 5743-27-1

more

Food Additives Approved by European Union:

Calcium ascorbate [show]

General Information

Chemical Names:	CALCIUM ASCORBATE DIHYDRATE; CALCIUM SALT OF 2,3-DIDEHYDRO-L-THREO-HEXONO- 1,4-LACTONE DIHYDRATE
CAS number:	5743-27-1
INS:	302
Functional Class:	Food Additives ANTIOXIDANT

From apps.who.int

Evaluations

Evaluation year:	1981
ADI:	NOT SPECIFIED
Meeting:	25
Specs Code:	N
Comments:	Group ADI for ascorbic acid and its sodium, potassium and calcium salts
Report:	TRS 669-JECFA 25/32
Tox Monograph:	FAS 16-JECFA 25/52
Specification:	COMPENDIUM ADDENDUM 11/FNP 52 Add. 11/89 (METALS LIMITS) (2003); FAO JECFA Monographs 1 vol.1/209

From apps.who.int

GSFA Provisions for CALCIUM ASCORBATE

Number	Food Category	Max Level	Notes
13.2	Complementary foods for infants and young children	200 mg/kg	Note 239,Note 317
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 72,Note 70,Note 315
08.1.2	Fresh meat, poultry, and game, comminuted	GMP	Note 281
09.1.2	Fresh mollusks, crustaceans, and echinoderms	GMP	Note 390,Note XS315,Note XS312
09.2.2	Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms	GMP	Note XS166,Note 139
09.2.1	Frozen fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms	GMP	Note XS190,Note XS36,Note 392,Note XS191,Note XS95,Note XS165,Note XS315,Note 308,Note XS92,Note XS312

From www.fao.org

Computed Descriptors

2D Structure
CID	54740489
IUPAC Name	calcium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-olate
InChI	InChI=1S/2C6H8O6.Ca/c27-1-2(8)5-3(9)4(10)6(11)12-5;/h22,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m00./s1
InChI Key	BLORRZQTHNGFTI-ZZMNMWMASA-L
Canonical SMILES	C(C(C1C(=C(C(=O)O1)[O-])O)O)O.C(C(C1C(=C(C(=O)O1)[O-])O)O)O.[Ca+2]
Molecular Formula	C12H14O12Ca·2H2O
Wikipedia	calcium ascorbate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	390.31
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Complexity	232.0
CACTVS Substructure Key Fingerprint	A A A D c c B w P A A A A A g A A A A A A A A A A A A A A Q I 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	220.0
Monoisotopic Mass	390.011
Exact Mass	390.011
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	25
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
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	Organoheterocyclic compounds
Class	Dihydrofurans
Subclass	Furanones
Intermediate Tree Nodes	Not available
Direct Parent	Butenolides
Alternative Parents	Organic calcium salts Monocarboxylic acids and derivatives Primary alcohols Hydrocarbon derivatives Lactones Organic oxides Organic zwitterions Enoate esters Vinylogous acids Oxacyclic compounds Carbonyl compounds Secondary alcohols
Molecular Framework	Not available
Substituents	2-furanone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Carboxylic acid ester - Lactone - Secondary alcohol - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic oxide - Organic zwitterion - Organic oxygen compound - Primary alcohol - Organooxygen compound - Alcohol - Carbonyl group - Organic salt - Hydrocarbon derivative - 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