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Sodium diacetate structure
Sodium diacetate structure

Sodium diacetate

Iupac Name:sodium;acetate
CAS No.: 126-96-5
Molecular Weight:142.09
Modify Date.: 2022-11-01 06:54
Introduction: Sodium Diacetate is a preservative, sequestrant, acidulant, and fla-voring agent that is a molecular compound of sodium acetate and acetic acid which yields acetic acid. it is a white crystalline powder which is hygroscopic. it functions against mold and bacteria and is used in bread. it is also termed sodium hydrogen diacetate. View more+
1. Names and Identifiers
1.1 Name
Sodium diacetate
1.2 Synonyms

Acetate buffer solution pH 4.6 acetate, hydrogen sodium salt (2:1:1) Acetic acid-Sodium acetate buffer 1:1 pH 4.6, Sodium acetate buffer solution Acetic acid, sodium salt (2:1) Acetic acid-Sodium acetate buffer 1:1 pH 4.6,Sodium acetate buffer Acetic acid-Sodium acetate buffer 1:1 pH 4.65 EINECS 204-814-9 MFCD00137248 Michaelis buffer Monosodium diacetate Sodium acetate - acetic acid (1:1:1) SODIUM ACETATE ACETIC ACID SODIUM ACETATE ACETIC ACID BUFFER SODIUM ACETATE BUFFER SODIUM DIACETATE HYDRATE Sodium hydrogen acetate (1:1:2) SODIUM HYDROGEN DIACETATE SODIUM HYDROGEN DIACETATE HYDRATE

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1.3 CAS No.
1.4 CID
204-814-9; 204-823-8
1.6 Molecular Formula
C4H7NaO4 (isomer)
1.7 Inchi
1.8 InChIkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. Properties
2.1 Density
1.01 g/mL at 20 °C
2.1 Melting point
323-329 °C(lit.)
2.1 Boiling point
117.1 °C at 760 mmHg
2.1 Refractive index
1.464 (20 C)
2.1 Flash Point
40°C (104°F)
2.1 Precise Quality
2.1 PSA
2.1 logP
2.1 Solubility
2.2 Appearance
2.3 Storage
2.4 Chemical Properties
White crystals; acetic acid odor. Decom-poses above 150C. Soluble in water; slightly solublein alcohol; insoluble in ether. Combustible.
2.5 Color/Form
Clear colorless
2.6 PH
7.0±0.05 (25℃)
2.7 Water Solubility
117.1 oC at 760 mmHg
2.8 Stability
2.9 StorageTemp
room temp
3. Use and Manufacturing
3.1 Agricultural Uses
Fungicide, Bactericide: Sodium diacetate is a fungicide and bactericide registered to control molds and bacteria, thereby preventing spoilage in stored grains. The pesticide is applied to hay as a dust or soluble concentrate (liquid spray) during the baling process. It is applied to silage as a fermentation "aid" to preserve the quality of field corn, alfalfa, sorghum, oats and grasses, stored in silos. Sodium diacetate is composed of acetic acid and sodium acetate. It dissociates to acetate, sodium and hydrogen ions, normal components of plants and animals, and of human foods. Acetates are formed in living organisms during the metabolism of food. Acetates and acetic acid have long been used in both human and animal foods, without significant adverse effects. Sodium diacetate is also used as an antimicrobial agent in baked goods and other foods, and in medicine and cosmetics manufacturing as a freshener, flavoring and pH regulator. Not listed for use in EU countries. 126-96-5. Registered for use in the U.S.
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3.2 Usage
Sodium Diacetate is a preservative, sequestrant, acidulant, and fla-voring agent that is a molecular compound of sodium acetate and acetic acid which yields acetic acid. it is a white crystalline powder which is hygroscopic. it functions against mold and bacteria and is used in bread. it is also termed sodium hydrogen diacetate.
4. Safety and Handling
4.1 Hazard Codes
4.1 Risk Statements
4.1 Safety Statements
4.1 Exposure Standards and Regulations
Substance added directly to human food affirmed as generally recognized as safe (GRAS).
Sodium diacetate used as a sequestrant in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: sodium diacetate is included in astringent drug products.
4.2 Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
4.3 DisposalMethods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
UN 2790 8/PG 2
4.4 Safety Profile
When heated to decomposition it emits acrid smoke and irritating fumes
4.5 Formulations/Preparations
Grade: "Food Chemical Codex"
/Available as/ anhydrous powder; granular USP, FCC and Technical grades
4.6 WGK Germany
4.6 Protective Equipment and Clothing
Causes eye irritation.
4.7 Skin, Eye, and Respiratory Irritations
Causes eye irritation.
4.8 Safety

Hazard Codes:?CorrosiveC
Risk Statements: 35
R35:Causes severe burns.
Safety Statements: 24/25-45-26-23
S24/25:Avoid contact with skin and eyes.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S23:Do not breathe vapour.
RIDADR: UN 2790 8/PG 2
WGK Germany: 1
RTECS: AJ4375000

4.9 Specification

? Sodium diacetate , with CAS number of 126-96-5, can be called Acetic acid dimer, sodium salt ; Acetic acid, sodium salt (2:1) ; Acetic acid, sodium salt, compd. with acetic acid (1:1) ; Acid acetate ; Sodium acetate (1:2) ; Sodium acetate, acid ; Sodium acetate, compd. with acetic acid (1:1) ; Sodium acid acetate ; Sodium hydrogen diacetate .


2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)

P280 Wear protective gloves/protective clothing/eye protection/face protection.


P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026





2.3 Other hazards which do not result in classification


7. Other Information
7.0 Merck
7.1 BRN
7.2 Chemical Properties
White crystals; acetic acid odor. Decom- poses above 150C. Soluble in water; slightly soluble in alcohol; insoluble in ether. Combustible.
7.3 Chemical Properties
Sodium diacetate has the odor of acetic acid. It is a molecular compound of sodium acetate and acetic acid. The pH of a 1 in 10 solution is between 4.5 and 5.0.
7.4 Occurrence
Acetic acid or acetates are present in most plant and animal tissues in small, but detectable amounts.
7.5 Uses
Acetic acid in solid form; sequestrant; food preservative to inhibit molds and rope-forming bacteria in bread: Glabe, Food Ind. 14, no. 2, 46 (1942).
7.6 Uses
Sodium Diacetate is a preservative, sequestrant, acidulant, and fla- voring agent that is a molecular compound of sodium acetate and acetic acid which yields acetic acid. it is a white crystalline powder which is hygroscopic. it functions against mold and bacteria and is used in bread. it is also termed sodium hydrogen diacetate.
7.7 Uses
Sodium acetate buffer solution has been used for the precipitation of DNA. It has also been used as a component of supporting electrolyte for electrochemical sensor.
8. Computational chemical data
  • Molecular Weight: 142.09g/mol
  • Molecular Formula: C4H7NaO4
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 142.02420298
  • Monoisotopic Mass: 142.02420298
  • Complexity: 65.6
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 77.4
  • Heavy Atom Count: 9
  • 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: 3
9. Question & Answer
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11. Realated Product Infomation