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Trisodium citrate dihydrate
- Iupac Name：trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate
- CAS No.: 6132-04-3
- Molecular Weight：294.098
- Modify Date.: 2022-11-06 07:08
- Introduction: Sodium citrate, (molecular formula: Na3C6H5O7 • 2H2O) has molecular weight of 294.1, is a colorless crystal or white crystalline powder product; it is odorless, salty taste, and cool.It will lose its crystal water at 150 °C and will be decomposed at even higher temperature. It also has slight deliquescence in wet air and has weathering property upon hot air. It is soluble in water and glycerol, but insoluble in alcohol and some other organic solvents. Sodium citrate has no toxic effect, and has pH adjusting capability as well as having a good stability, and therefore can be used in the food industry. Sodium citrate has the greatest demand when being used as a food additive; As food additives, it is mainly used as flavoring agents, buffers, emulsifiers, bulking agents, stabilizers and preservatives; in addition, combination between sodium citrate and citric acid can be used in a variety of jams, jelly, juice, drinks, cold drinks, dairy products and pastries gelling agents, flavoring agents and nutritional supplements.
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1. Names and Identifiers
- 1.1 Name
- Trisodium citrate dihydrate
- 1.2 Synonyms
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt, hydrate (1:3:2) ANTI-BABOON IGM, BIOTIN BETA-HYDROXY-TRICARBOXYLIC ACID MONOHYDRATE CITRIC ACID H2O CITRIC ACID NA3-SALT 2H2O CITRIC ACID TRISODIUM SALT DIHYDRATE CITRIC ACID, 3NA, DIHYDRATE CITRIC ACID-1-HYDRATE EINECS 201-069-1 HOC(COONa)(CH2COONa)2 · 2H2O HYDROXYTRICARBALLYLIC ACID MONOHYDRATE MFCD00150031 Sodium 2-hydroxy-1,2,3-propanetricarboxylate hydrate (3:1:2) Sodium 2-hydroxypropane-1,2,3-tricarboxylate hydrate (3:1:2) Sodium citrate tribasic dihydrate trisodium,2-hydroxypropane-1,2,3-tricarboxylate,dihydrate
- 1.3 CAS No.
- 6132-04-3
- 1.4 CID
- 71474
- 1.5 EINECS(EC#)
- 612-118-5
- 1.6 Molecular Formula
- C6H9Na3O9 (isomer)
- 1.7 Inchi
- InChI=1S/C6H8O7.3Na.2H2O/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);;;;2*1H2/q;3*+1;;/p-3
- 1.8 InChkey
- NLJMYIDDQXHKNR-UHFFFAOYSA-K
- 1.9 Canonical Smiles
- C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
- 1.10 Isomers Smiles
- C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
2. Properties
- 2.1 Density
- 1.76
- 2.1 Melting point
- 300℃
- 2.1 Boiling point
- 309.6 oC at 760 mmHg
- 2.1 Refractive index
- 1.58
- 2.1 Flash Point
- 155.2 oC
- 2.1 Precise Quality
- 293.99400
- 2.1 PSA
- 159.08000
- 2.1 logP
- -5.38120
- 2.1 Solubility
- H2O: 100?mg/mL
- 2.2 Appearance
- white granular crystals or white crystalline powder
- 2.3 Storage
- Sodium citrate dihydrate is a stable material. Aqueous solutionsmay be sterilized by autoclaving. On storage, aqueous solutions may cause the separation of small, solid particles from glasscontainers.The bulk material should be stored in an airtight container in acool, dry place.
- 2.4 Color/Form
- white
- 2.5 Odor
- Odorless
- 2.6 PH
- 7.0-9.0 (25℃, 50mg/mL in H2O)
- 2.7 Physical
- PelletsLargeCrystals
- 2.8 Water Solubility
- 720 g/L (25 oC)
- 2.9 Stability
- Stable. Incompatible with bases, reducing agents, oxidizing agents.
- 2.10 StorageTemp
- Store at +5°C to +30°C.
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: The dihydrate of trisodium citrate.
- 3.2 General Description
- Sodium citrate, (molecular formula: Na3C6H5O7 • 2H2O) has molecular weight of 294.1, is a colorless crystal or white crystalline powder product; it is odorless, salty taste, and cool.It will lose its crystal water at 150 °C and will be decomposed at even higher temperature. It also has slight deliquescence in wet air and has weathering property upon hot air. It is soluble in water and glycerol, but insoluble in alcohol and some other organic solvents. Sodium citrate has no toxic effect, and has pH adjusting capability as well as having a good stability, and therefore can be used in the food industry. Sodium citrate has the greatest demand when being used as a food additive; As food additives, it is mainly used as flavoring agents, buffers, emulsifiers, bulking agents, stabilizers and preservatives; in addition, combination between sodium citrate and citric acid can be used in a variety of jams, jelly, juice, drinks, cold drinks, dairy products and pastries gelling agents, flavoring agents and nutritional supplements.
- 3.3 GHS Classification
- Signal: Warning
GHS Hazard StatementsAggregated GHS information provided by 309 companies from 3 notifications to the ECHA C&L Inventory.
Reported as not meeting GHS hazard criteria by 303 of 309 companies. For more detailed information, please visit
ECHA C&L websiteOf the 1 notification(s) provided by 6 of 309 companies with hazard statement code(s):
H319 (100%): Causes serious eye irritation [
Warning Serious eye damage/eye irritation]
Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.
Precautionary Statement Codes
P264, P280, P305+P351+P338, P33, and P313
- 3.4 Purification Methods
- Crystallise the salt from warm water by cooling to 0o. [Beilstein 3 III 1100, 3 IV 1274.]
- 3.5 Usage
- It can be used as Ph adjusting agents and emulsifying enhancers applied to jam, candy, jelly and ice cream; its combination with citric acid has an effect of alleviating tour; it also has effects on forming complex with metal ions. China rules that it can be applied to various types of food with appropriate usage according to the absolute necessity.It can be used as a food additive, as complex agent and buffering agent in electroplating industry; at the field of pharmaceutical industry, it is used for the manufacturing of anti-clotting drugs; and used as the detergent additives in light industry.It is used as the analysis agents used for chromatography analysis and can also used for preparing bacterial culture medium; moreover, it can also be applied into pharmaceutical industry.The product can be used for the flavoring processing of food, as stabilizers, buffers and deputy complex-forming agents in non-toxic electroplating industry; at pharmaceutical industry, it is used as anti-clotting agent, phlegm drugs and diuretics drugs. It can also be used in brewing, injection, newspaper and movies medicines.
4. Safety and Handling
- 4.1 Hazard Codes
- Xi
- 4.1 Risk Statements
- R37/38
- 4.1 Safety Statements
- S24/25
- 4.1 RIDADR
- 25kgs
- 4.1 Incompatibilities
- Aqueous solutions are slightly alkaline and will react with acidicsubstances. Alkaloidal salts may be precipitated from their aqueousor hydro-alcohol solutions. Calcium and strontium salts will causeprecipitation of the corresponding citrates. Other incompatibilitiesinclude bases, reducing agents, and oxidizing agents.
- 4.2 WGK Germany
- 1
- 4.2 RTECS
- GE7810000
- 4.2 Safety
-
Hazard Codes:?
Xi
Risk Statements: 37/38-41-36/37/38?
R37/38: Irritating to respiratory system and skin
R41: Risk of serious damage to the eyes
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39-24/25-36?
S26:?In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S24/25: Avoid contact with skin and eyes
S36: Wear suitable protective clothing
WGK Germany: 1
RTECS: GE7810000
- 4.3 Specification
-
?1,2,3-Propanetricarboxylicacid, 2-hydroxy-, sodium salt, hydrate (1:3:2)?(CAS NO.6132-04-3) is also called as?Sodium Citrate [USAN:JAN] ; Sodium citrate ; Trisodium citrate ; Trisodium citrate dihydrate?; Trisodium citrate ; Trisodium citrate dihydrate ; UNII-1Q73Q2JULR ; UNII-B22547B95K ; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trisodium salt ; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate?.
- 4.4 Toxicity
- LD50 orally in Rabbit: > 8000 mg/kg
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
7. Synthesis Route
6132-04-3Total: 2 Synthesis Route
9. Other Information
- 9.0 Merck
- 14,8602
- 9.1 BRN
- 6104939
- 9.2 General description
- Sodium citrate, (molecular formula: Na3C6H5O7 ? 2H2O) has molecular weight of 294.1, is a colorless crystal or white crystalline powder product; it is odorless, salty taste, and cool.It will lose its crystal water at 150 °C and will be decomposed at even higher temperature. It also has slight deliquescence in wet air and has weathering property upon hot air. It is soluble in water and glycerol, but insoluble in alcohol and some other organic solvents. Sodium citrate has no toxic effect, and has pH adjusting capability as well as having a good stability, and therefore can be used in the food industry. Sodium citrate has the greatest demand when being used as a food additive; As food additives, it is mainly used as flavoring agents, buffers, emulsifiers, bulking agents, stabilizers and preservatives; in addition, combination between sodium citrate and citric acid can be used in a variety of jams, jelly, juice, drinks, cold drinks, dairy products and pastries gelling agents, flavoring agents and nutritional supplements.
- 9.3 Excellent performance
- Sodium citrate is currently the most important citrate. It is produced by two steps: first starch food is fermented to generate citric acid; secondly, citric acid is neutralized by alkali to generate the final products. Sodium citrate has the following excellent performance:
- Safe and nontoxic properties; Since the basic raw material for the preparation of sodium citrate mainly comes from the food, it is absolutely safe and reliable without causing harm to human health. The United Nations Food and Agriculture and the World Health Organization has no restriction in its daily intake, which means that this product can be considered as non-toxic food.
- It is biodegradable. After subjecting to the dilution of a large amount of water, sodium citrate is partially converted into citrate, which coexists with sodium citrate in the same system. Citrate is easy to subject to biological degradation at water by the action of oxygen, heat, light, bacteria and microbes. Its decomposition pathways are generally going through aconitic acid, itaconic acid, citraconic acid anhydride to be further converted to carbon dioxide and water.
- The ability of forming complex with metal ions. Sodium citrate has a good capability of forming complex with some metal ions such as Ca2+, Mg2+; for other ions such as Fe2+, it also has a good complex-forming ability.
- Excellent solubility, and the solubility increases with increasing temperature of water.
- It has a good capability for pH adjustment and a good buffering property. Sodium citrate is a weak acid-strong alkali salt; When combined with citrate, they can form a pH buffer with strong compatibility; therefore, this is very useful for some cases in which it is not suitable to have large change of pH value. In addition, sodium citrate also has excellent retardation performance and stability.
- 9.4 Reference quality standards
- British Pharmacopoeia BP98 Edition
Quality Item Technical Index
Content 99.0-101.0%
PH Meet the rule
Heavy Metal (PB) ≤ 0.001%
Arsenic ≤ 0.0001%
Ferric ≤ 0.001%
Oxalate ≤ 0.03%
Sulfate ≤ 0.015%
Readily carbonizable substance Meet the rule
Chloride ≤ 0.005%
Water 11.0-13.0%
Appearance of the solution clear and transparent solution, colorless
Pyrogen consistent with the test
- 9.5 Effect and application
- During the process of clinically taking fresh blood, adding some amount of sterile sodium citrate can play a role in prevent blood clotting; this is exactly taking advantage of the features that calcium citrate can form soluble complexes with calcium ion; In the field of medicine, it is used for the in vitro anti-clotting drugs and anticoagulants drugs, phlegm drugs, and diuretics drugs during blood transfusions; it can also used for cyanide-free electroplating industry; also used as developer for photographic industry. It can be used as flavoring agents, buffering materials, emulsifiers, and stabilizer in the food industry. Moreover, it is also widely used in chemical, metallurgical industry, the absorption of sulfur dioxide exhaust with the absorption rate of 99% and regenerate liquid sulfur dioxide citrate for recycle application. Sodium citrate has a good water solubility and a excellent cheating capability with Ca2 +, Mg2 + and other metal ions; it is biodegradable and has a strong dispersing ability and anti-redeposition ability; Daily-applied chemical detergents use it as alternative to trimer sodium phosphate for production of non-phosphorus detergent and phosphate-free liquid detergent. Adding a certain amount sodium citrate to the detergent can significantly increase the cleaning ability of detergent cleaning. The large scale of application of sodium tripolyphosphate as a builder in detergents is an important discovery in synthetic detergent industry. It is non-toxic without environmental pollution; it can also be acted as a buffer for the production of cosmetics.
- 9.6 Chemical Properties
- It is colorless crystals or white crystalline powder, and is odorless, cool and salty. It has no melting point with a relative density of 1.857. It is stable in air at room temperature with loss of crystal water when being heated to 150 °C loss of crystal water; further heating will cause its decomposition. It is insoluble in ethanol but highly soluble in water. 5% aqueous solution has a pH value of 7.6 to 8.6. Rats by intraperitoneal injection: LD50: 1549 mg/kg; ADI without any special provisions (FAOWHO, 1994).
- 9.7 Uses
-
- It can be used as Ph adjusting agents and emulsifying enhancers applied to jam, candy, jelly and ice cream; its combination with citric acid has an effect of alleviating tour; it also has effects on forming complex with metal ions. China rules that it can be applied to various types of food with appropriate usage according to the absolute necessity.
- It can be used as a food additive, as complex agent and buffering agent in electroplating industry; at the field of pharmaceutical industry, it is used for the manufacturing of anti-clotting drugs; and used as the detergent additives in light industry.
- It is used as the analysis agents used for chromatography analysis and can also used for preparing bacterial culture medium; moreover, it can also be applied into pharmaceutical industry.
- The product can be used for the flavoring processing of food, as stabilizers, buffers and deputy complex-forming agents in non-toxic electroplating industry; at pharmaceutical industry, it is used as anti-clotting agent, phlegm drugs and diuretics drugs. It can also be used in brewing, injection, newspaper and movies medicines.
- 9.8 Production methods
- It is produced by the neutralization of citric acid by sodium hydroxide or sodium bicarbonate. Dissolve sodium bicarbonate in water upon stirring and heating; add citric acid, continue to heat up to 85-90 °C; adjust the pH to 6.8; adjust active carbon for bleaching. Filter when the mixture is still hot; condense the filtrate under reduced pressure; cool and the crystal comes out; filter, wash, dry to obtain the final products of sodium citrate.
C6H8O7 + 3NaHCO3 → C6H5Na3O7 ? 2H2O + 3CO2 ↑ + H2O
- 9.9 Chemical Properties
- white powder or colourless crystals
- 9.10 Chemical Properties
- Sodium citrate dihydrate consists of odorless, colorless, monoclinic crystals, or a white crystalline powder with a cooling, saline taste. It is slightly deliquescent in moist air, and in warm dry air it is efflorescent. Although most pharmacopeias specify that sodium citrate is the dihydrate, the USP 32 states that sodium citrate may be either the dihydrate or anhydrous material.
- 9.11 Uses
- Sodium citrate is chiefly used as a food additive, usually for flavor or as a preservative.
- 9.12 Uses
- Anticoagulant for collection of blood. In photography; as sequestering agent to remove trace metals; as emulsifier, acidulant and sequestrant in foods.
- 9.13 Uses
- An anticoagulant also used as a biological buffer
- 9.14 Production Methods
- Sodium citrate is prepared by adding sodium carbonate to a solution of citric acid until effervescence ceases. The resulting solution is filtered and evaporated to dryness.
- 9.15 Definition
- ChEBI: The dihydrate of trisodium citrate.
- 9.16 General Description
-
Sodium citrate tribasic dihydrate is the tribasic dihydrate sodium salt of citric acid.
- 9.17 Usage
- Citrate, is used as an anticoagulant and also used as a biological buffer. It is often used to prepare sodium citrate buffer for antigen retrieval of tissue samples. The citrate solution is designed to break protein cross-links, thus, unmasking antigens and epitopes in formalin-fixed and paraffin embedded tissue sections, resulting in enhancing staining intensity of antibodies. Citrate has anticoagulant activity and as a calcium chelator, it forms complexes that disrupt the tendency of blood to clot.
- 9.18 Usage
- Citrate is an intermediate in the TCA cycle and fatty acid synthesis. It is an allosteric modulator of acetyl-CoA carboxylase, the enzyme that regulates the conversion of acetyl-CoA to malonyl-CoA. It has anticoagulant activity and is a calcium chelator. Its function is to break protein cross-links; thus, unmasking antigens and epitopes in formalin-fixed and paraffin embedded tissue sections, resulting in enhancing staining intensity of antibodies.
- 9.19 Usage
- Citrate, 0.5M buffer soln., pH 4.0 may be used for antigen retrieval of tissue samples. The citrate solution is designed to break protein cross-links; thus, unmasking antigens and epitopes in formalin-fixed and paraffin embedded tissue sections, resulting in enhancing staining intensity of antibodies. Citrate has anticoagulant activity as a calcium chelator.
- 9.20 Usage
- Citric acid is used as a substrate for citrate lyase, a buffer component, an anticoagulant. For anticoagulation use it is typically used at a concentration of approximately 0.129 M.
- 9.21 Usage
- Trisodium citrate dihydrate, is widely applied in food, beverages and fillers as a buffering, sequestering or an emulsifying agent. It used as an anticoagulant in blood transfusions, osmotic laxative, functional fluids, solvents cleaning, furnishing care products, laundry dishwashing products and cleaning automobile radiators.
- 9.22 Usage
- Trisodium citrate dihydrate, is widely applied in food, beverages and fillers as a buffering, sequestering or an emulsifying agent. It used as an anticoagulant in blood transfusions, osmotic laxative, functional fluids, solvents Cleaning, Furnishing Care Products, Laundry Dishwashing Products and cleaning automobile radiators.
10. Computational chemical data
- Molecular Weight: 294.098g/mol
- Molecular Formula: C6H9Na3O9
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 293.99396471
- Monoisotopic Mass: 293.99396471
- Complexity: 211
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Topological Polar Surface Area: 143
- Heavy Atom Count: 18
- 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: 6
- CACTVS Substructure Key Fingerprint: AAADccBgPDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAAACAAAAgAIAACQCAIAAAAAAAAAAAFAAAABABYAAAAAQAAFIAABAADLJgAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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