TRISODIUM CITRATE

Relevant Data

Food Additives Approved in the United States

TRISODIUM CITRATE [show][hide]

Mainterm TRISODIUM CITRATE

Doc Type ASP

CAS number 68-04-2

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General Information

Synonyms:	SODIUM CITRATE
Chemical Names:	TRISODIUM CITRATE; TRISODIUM SALT OF 2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACID; TRISODIUM SALT OF beta-HYDROXY-TRICARBALLYLIC ACID
CAS number:	68-04-2
INS:	331(iii)
Functional Class:	Food Additives ACIDITY_REGULATOR SEQUESTRANT STABILIZER

From apps.who.int

Evaluations

Evaluation year:	1973
ADI:	NOT LIMITED
Meeting:	17
Specs Code:	R (1975)
Report:	NMRS 53/TRS 539-JECFA 17/35
Tox Monograph:	FAS 5/NMRS 53A-JECFA 17/170
Specification:	COMPENDIUM ADDENDUM 10/FNP 52 Add.10/34 (METALS LIMITS) (2002). R; FAO JECFA Monographs 1 vol.3/569

From apps.who.int

GSFA Provisions for TRISODIUM 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 240,Note 238,Note 320,Note 319
06.2.1	Flours	GMP	Note 25
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 55,Note 72
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 16,Note 326
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 55,Note 72
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 XS95,Note XS312,Note XS315,Note XS292,Note XS191,Note 253,Note XS92,Note XS190,Note XS36,Note 391
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	6224
IUPAC Name	trisodium;2-hydroxypropane-1,2,3-tricarboxylate
InChI	InChI=1S/C6H8O7.3Na/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;3*+1/p-3
InChI Key	HRXKRNGNAMMEHJ-UHFFFAOYSA-K
Canonical SMILES	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+]
Molecular Formula	Anhydrous: C6H5O7Na3; Hydrated: C6H5O7Na3·nH2O (n = 2 or 5)
Wikipedia	anhydrous trisodium citrate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	258.068
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Complexity	211.0
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 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	141.0
Monoisotopic Mass	257.973
Exact Mass	257.973
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	16
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	4

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