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Home> Encyclopedia >   /  Acidity Regulators  /  Pharmaceutical Intermediates  /  Food Additives
Sodium citrate structure
Sodium citrate structure

Sodium citrate

Iupac Name:trisodium;2-hydroxypropane-1,2,3-tricarboxylate
CAS No.: 68-04-2
Molecular Weight:258.06901
Modify Date.: 2022-11-12 07:16
Introduction: Sodium citrate may refer to any of the sodium salts of citric acid (though most commonly the third): Mono sodium citrate Di sodium citrate Tri sodium citrate As food additives, the 3 forms of the salt are also collectively known by the E number E331. View more+
1. Names and Identifiers
1.1 Name
Sodium citrate
1.2 Synonyms

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, sodiuM salt (1:3) 1,2,3-Propanetricarboxylicacid,2-hydroxy,trisodiumsalt 1,2,3-propanetricarboxylicacid2hydroxy-trisodiumsalt anhydrous sodium citrate anhydrous trisodium citrate citnatin citreme Citric acid 3Na citric acid trisodium salt CITRIC ACID TRISODIUM SALT, ANHYDROU CITRIC ACID TRISODIUM SALT, VETEC Citric acidsodiuM,anhydrous citrosodina citrosodine citrosodna EINECS 200-675-3 FEMA 3026 food additive sodium citrate MFCD00012462 Na3-citrate natrocitral trisodium citrate

1.3 CAS No.
68-04-2
1.4 CID
6224
1.5 EINECS(EC#)
200-675-3
1.6 Molecular Formula
C6H5Na3O7 (isomer)
1.7 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
1.8 InChkey
HRXKRNGNAMMEHJ-UHFFFAOYSA-K
1.9 Canonical Smiles
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+]
1.10 Isomers Smiles
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+]
2. Properties
3.1 Density
1.008?g/mL?at 20?°C
3.1 Melting point
300°C
3.1 Boiling point
309.6°C at 760 mmHg
3.1 Flash Point
155.2°C
3.1 Precise Quality
257.97300
3.1 PSA
140.62000
3.1 logP
-5.25260
3.1 Appearance
White, odorless granules or powder.
3.2 Storage
Hygroscopic. Store under Nitrogen. Ambient temperatures.
3.3 Chemical Properties
White to off-white crystalline powder
3.4 Color/Form
White to off-white
3.5 PH
Between 7,5 and 9,0 (5 % aqueous solution)
3.6 Water Solubility
720 g/L
3.7 Stability
Stable under normal temperatures and pressures.
3.8 StorageTemp
2-8°C
3. Use and Manufacturing
4.1 Purification Methods
Crystallise the salt from warm water by cooling to 0o. [Beilstein 3 III 1100, 3 IV 1274.] Sodium citrate Preparation Products And Raw materials Preparation Products
4.2 Usage
Alkalizer (systemic).
4. Safety and Handling
5.1 Hazard Codes
Xi,C
5.1 Risk Statements
R22
5.1 Safety Statements
36-24/25
5.1 Exposure Standards and Regulations
Trisodium citrate is a prior sanctioned food ingredient classified as a stabilizer when migrating from food-packaging material.
5.2 DisposalMethods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
5.3 RIDADR
NONH for all modes of transport
5.3 Formulations/Preparations
SODIUM CITRATE IS AN INGREDIENT IN ANTICOAGULANT CITRATE DEXTROSE SOLUTION USP; ANTICOAGULANT CITRATE PHOSPHATE DEXTROSE SOLUTION USP; & SODIUM CITRATE & CITRIC ACID SOLUTION USP.
Grades: highest purity, medicinal; pure, commercial, CP; USP; FCC. /Dihydrate/
5.4 WGK Germany
2
5.4 RTECS
GE8300000
5.4 Safety

Risk Statements of Sodium Citrate (CAS NO.68-04-2): 20-40-48/22 
R20: Harmful by inhalation.
R40: Limited evidence of a carcinogenic effect. 
R48/22: Harmful: danger of serious damage to health by prolonged exposure if swallowed.
Safety Statements: 36-24/25 
S36: Wear suitable protective clothing. 
S24/25: Avoid contact with skin and eyes.
WGK Germany: 2
F: 34
 

5.5 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1364mg/kg (1364mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 65, 1948.
mouse LD50 intravenous 170mg/kg (170mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 65, 1948.
rabbit LD50 intravenous 449mg/kg (449mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 65, 1948.
rat LD50 intraperitoneal 1548mg/kg (1548mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 65, 1948.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

8. Precursor and Product
9. Other Information
9.0 Usage
Trisodium citrate is used in food additives, beverages, instant drinks, pharmaceuticals and detergents. It is also used as buffering agent, acidity regulator, sequestering or emulsifying agent. It is an effective agent for removal of carbonate scale from boilers and for cleaning automobile radiators. In the medical field, it is used as an osmotic laxative and an active component of the WHO oral rehydration solution. It is also employed to control acidity in some substances such as gelatin desserts. Further, it is used as a flavor or as a preservative. In addition to this, it is used for the preservation of blood in blood banks.
9.1 Description
Sodium citrate may refer to any of the sodium salts of citric acid (though most commonly the third):
Mono sodium citrate
Di sodium citrate
Tri sodium citrate
As food additives, the 3 forms of the salt are also collectively known by the E number E331.
9.2 Description
Trisodium citrate has the chemical formula of Na3C6H5O7.It is some times referred to simply as sodium citrate, though sodium citrate can refer to any of the three sodium salts of citric acid. It possesses a saline, mildly tart flavor. For this reason, citrates of certain alkaline and alkaline earth metals (e.g. sodium and calcium citrates) are commonly known as "sour salt" (occasionally citric acid is erroneously termed sour salt).
9.3 Chemical Properties
White to off-white crystalline powder
9.4 Chemical Properties
Sodium citrate is odorless and has a pleasant, acid taste. Sodium citrate is anhydrous or contains two molecules of water of crystallization
9.5 Occurrence
Citric acid and its salts occur naturally in many plants and animals.
9.6 Uses
Alkalizer (systemic).
9.7 Uses
sodium citrate may be used in cosmetic formulations as an alkalizer and to bind trace metals in solutions (by means of a chelating action). It is the sodium salt of citric acid.
9.8 Uses
Sodium Citrate is a buffer and sequestrant obtained from citric acid as sodium citrate anhydrous and as sodium citrate dihydrate or sodium citrate hydrous. the crystalline products are prepared by direct crystallization from aqueous solutions. sodium citrate anhy- drous has a solubility in water of 57 g in 100 ml at 25°c, while sodium citrate dihydrate has a solubility of 65 g in 100 ml at 25°c. it is used as a buffer in carbonated beverages and to control ph in preserves. it improves the whipping properties in cream and pre- vents feathering of cream and nondairy coffee whiteners. it pro- vides emulsification and solubilizes protein in processed cheese. it prevents precipitation of solids during storage in evaporated milk. in dry soups, it improves rehydration which reduces the cooking time. it functions as a sequestrant in puddings. it functions as a complexing agent for iron, calcium, magnesium, and aluminum. typical usage levels range from 0.10 to 0.25%. it is also termed trisodium citrate.
9.9 Uses
Trisodium Citrate is a buffer and sequestrant that is the trisodium salt of citric acid. see sodium citrate.
9.10 Uses
Sodium citrate is also known as citrate of soda, the white crystals or granular powder was obtained by neutralizing citric acid with sodium carbonate. It is soluble in water but less so in alcohol. Sodium citrate was used as a preservative in albumen papers.
9.11 Application
2 – 1 - Food
Sodium citrate is chiefly used as a food additive E331, usually for flavor or as a preservative. Sodium citrate is employed as a flavoring agent in certain varieties of club soda. Sodium citrate is common as an ingredient in Bratwurst, and is also used in commercial ready to drink beverages and drink mixes, contributing a tart flavour.
2 – 2 - Buffer
As a conjugate base of a weak acid, citrate can perform as a buffering agent or acidity regulator, resisting changes in pH. Sodium citrate is used to control acidity in some substances, such as gelatin desserts. It can be found in the mini milk containers used with coffee machines. The compound is the product of antacids, such as Alka- Seltzer, when they are dissolved in water.
2 – 3 - Medical uses
In 1914, the Belgian doctor Albert Hustin and the Argentine physician and researcher Luis Agote successfully used sodium citrate as an anticoagulant in blood transfusions. It continues to be used today in blood collection tubes and for the preservation of blood in blood banks. The citrate ion chelates calcium ions in the blood by forming calcium citrate complexes, disrupting the blood clotting mechanism.
Sodium citrate is used to relieve discomfort in urinary tract infections, such as cystitis, to reduce the acidosis seen in distal renal tubular acidosis, and can also be used as an osmotic laxative. It is a major component of the WHO Oral Rehydration Solution.
9.12 Preparation
Produced by the neutralization of citric acid with sodium hydroxide or sodium carbonate. May be prepared in an anhydrous state or may contain 2 mole of water per mole of sodium citrate.
9.13 General Description
Citric acid trisodium salt corresponds to a molecular weight of 258 Da. It has high sodium content and sieving coefficients.
10. Computational chemical data
  • Molecular Weight: 258.06901g/mol
  • Molecular Formula: C6H5Na3O7
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 257.97283534
  • Monoisotopic Mass: 257.97283534
  • Complexity: 211
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Topological Polar Surface Area: 141
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBgODAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAAACAAAAgAIAACQCAIAAAAAAAAAAAFAAAABABYAAAAAQAAFIAABAADLJgAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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