SODIUM DIHYDROGEN CITRATE

Relevant Data

Food Additives Approved in the United States

MONOSODIUM CITRATE [show][hide]

Mainterm MONOSODIUM CITRATE

CAS number 18996-35-5

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General Information

Synonyms:	MONOSODIUM CITRATE, SODIUM CITRATE MONOBASIC
Chemical Names:	MONOSODIUM CITRATE; MONOSODIUM SALT OF 2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACID
CAS number:	18996-35-5
INS:	331(i)
Functional Class:	Food Additives ACIDITY_REGULATOR SEQUESTRANT

From apps.who.int

Evaluations

Evaluation year:	1979
ADI:	NOT LIMITED
Meeting:	23
Specs Code:	R (1986)
Comments:	Included in the group ADI for citric acid and bases
Report:	TRS 648-JECFA 23/31
Tox Monograph:	NOT PREPARED
Specification:	COMPENDIUM ADDENDUM 10/FNP 52 Add.10/34 (METALS LIMITS) (2002). R; FAO JECFA Monographs 1 vol.3/335

From apps.who.int

GSFA Provisions for SODIUM DIHYDROGEN CITRATE

Number	Food Category	Max Level	Notes
02.1.1	Butter oil, anhydrous milkfat, ghee	GMP	Note 171
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	5,000 mg/kg	Note 238,Note 319,Note 240,Note 320
01.2.1.2	Fermented milks (plain), heat-treated after fermentation	GMP	Note 234
01.1.3.2	Fluid buttermilk (plain)	GMP	Note 261
13.1.2	Follow-up formulae	GMP	Note 316,Note 72
13.1.3	Formulae for special medical purposes for infants	GMP	Note 72,Note 55
08.1.2	Fresh meat, poultry, and game, comminuted	GMP	Note 281
08.1.1	Fresh meat, poultry, and game, whole pieces or cuts	GMP	Note 326,Note 16
04.2.2.1	Frozen vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds	GMP	Note 29
13.1.1	Infant formulae	GMP	Note 72,Note 55
11.4	Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings)	GMP	Note 258
01.4.1	Pasteurized cream (plain)	GMP	Note 236
09.2	Processed fish and fish products, including mollusks, crustaceans, and echinoderms	GMP	Note XS36,Note XS191,Note 391,Note XS95,Note XS190,Note XS315,Note XS92,Note XS312,Note 253,Note XS292
04.2.1.1	Untreated fresh vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes [(including soybeans)], and aloe vera), seaweeds, and nuts and seeds	GMP	Note 262
02.1.2	Vegetable oils and fats	GMP	Note 277

From www.fao.org

Computed Descriptors

2D Structure
CID	23666341
IUPAC Name	sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate
InChI	InChI=1S/C6H8O7.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1
InChI Key	HWPKGOGLCKPRLZ-UHFFFAOYSA-M
Canonical SMILES	C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[Na+]
Molecular Formula	(a)C6H7O7Na (anhydrous)
Wikipedia	monosodium citrate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	214.105
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Complexity	251.0
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 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 D E S A g A A 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 A B Y A A A A A Q A A F I A A B A A D L J g A K 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	135.0
Monoisotopic Mass	214.009
Exact Mass	214.009
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	14
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	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Tricarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Tricarboxylic acids and derivatives
Alternative Parents	Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Carboxylic acids Tertiary alcohols Carboxylic acid salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tricarboxylic acid or derivatives - Tertiary alcohol - 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 - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

From ClassyFire