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Sodium acetate structure
Sodium acetate structure

Sodium acetate

Iupac Name:sodium;acetate
CAS No.: 127-09-3
Molecular Weight:82.03380
Modify Date.: 2022-11-25 02:12
Introduction: Sodium acetate (CH3COONa) is the sodium salt of acetic acid. It appears as a colorless deliquescent salt with a wide range of applications. In industry, it can be used in textile industry to neutralize sulfuric acid waste streams and as a photoresist upon using aniline dyes. In concrete industry, it can be used as a concrete sealant to mitigate the water damage. In food, it can be used as a seasoning. It can also be used as a buffer solution in lab. In addition, it is also used in heating pads, hand warmers and hot ice. For laboratory use, it can be produced by the reaction between acetate with the sodium carbonate, sodium bicarbonate and sodium hydroxide. In industry, it is prepared from the glacial acetic acid and sodium hydroxide. View more+
1. Names and Identifiers
1.1 Name
Sodium acetate
1.2 Synonyms

acetic acid sodium salt EINECS 204-823-8 femanumber3024 MAGGRAN(R) NA Mettler-Toledo Calibration substance MFCD00012459 NA ACETATE Natriumacetat natriumaceticum Niacet sodium acetate anhyd. tech Octan sodny SODIUM ACETATE ANHYDROUS CELL CULTUR Sodium acetate anhydrous for analysis EMSURE ACS,Reag. Ph Eur SODIUM ACETATE ANHYDROUS, FOR MOLECU sodium ethanoate

1.3 CAS No.
127-09-3
1.4 CID
517045
1.5 EINECS(EC#)
204-814-9; 204-823-8
1.6 Molecular Formula
C2H3NaO2 (isomer)
1.7 Inchi
InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
1.8 InChkey
VMHLLURERBWHNL-UHFFFAOYSA-M
1.9 Canonical Smiles
CC(=O)[O-].[Na+]
1.10 Isomers Smiles
CC(=O)[O-].[Na+]
2. Properties
3.1 Density
1.01g/mLat 20°C
3.1 Melting point
>300°C (dec.)(lit.)
3.1 Boiling point
117.1oC at 760 mmHg
3.1 Refractive index
1.464 (20oC)
3.1 Flash Point
>250°C
3.1 Precise Quality
82.00310
3.1 PSA
40.13000
3.1 logP
-1.24380
3.1 Solubility
500 g/L (20 oC)
3.2 Appearance
DryPowder; DryPowder, Liquid; Liquid; PelletsLargeCrystals; WetSolid
3.3 Storage
Ambient temperatures.
3.4 Autoignition Temperature
1125 DEG F /SODIUM ACETATE TRIHYDRATE/
3.5 Chemical Properties
Anhydrous salt is a colorless crystalline solid; density 1.528 g/cm3; melts at 324°C; very soluble in water; moderately soluble in ethanol. The colorless crystalline trihydrate has a density 1.45 g/cm3; decomposes at 58°C; is very soluble in water; pH of 0.1M aqueous solution is 8.9; moderately soluble in ethanol, 5.3 g/100mL.
3.6 Color/Form
White powder
CRYSTALLINE SOLID
3.7 Odor
Odorless
3.8 PH
8,0-9,5 (1 % aqueous solution)
3.9 Water Solubility
H2O: 500 g/L (20 oC)
3.10 Stability
Stable. Incompatible with strong oxidizing agents, halogens. Moisture sensitive.
3.11 StorageTemp
Store at +5°C to +30°C.
3. Use and Manufacturing
4.1 Definition
A whitesolid prepared by the neutralization ofethanoic acid with either sodium carbonateor sodium hydroxide. Sodium ethanoatereacts with sulfuric acid to form sodiumhydrogensulfate and ethanoic acid; withsodium hydroxide it gives rise to sodiumcarbonate and methane. Sodium ethanoateis used in the dyeing industry.
4.2 Purification Methods
Crystallise it from acetic acid and keep it under vacuum for 10hours at 120o. Alternatively, it is crystallised from aqueous EtOH, as the trihydrate. This material can be converted to anhydrous salt by heating slowly in a porcelain, nickel or iron dish, so that the salt liquefies. Steam is evolved and the mass again solidifies. Heating is now increased so that the salt melts again. (NB: if it is heated too strongly, the salt can char; avoid this.) After several minutes, the salt is allowed to solidify and is cooled to a convenient temperature (in a desiccator) before being powdered and bottled. The water content should now be less than 0.02%. [Beilstein 2 II 113, 2 III 184, 2 IV 109.] Sodium acetate Preparation Products And Raw materials Raw materials
4.3 Usage
Sodium Acetate is a source of acetic acid that is obtained as crystals or powder. it has a solubility of 1 g in 0.8 ml of water.
4. Safety and Handling
5.1 Risk Statements
R35
5.1 Safety Statements
S22-S24/25
5.1 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.
5.2 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.
5.3 Hazard Declaration
H319
5.3 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.
5.4 RIDADR
UN 2790 8/PG 2
5.4 Safety Profile
Poison by intravenous route. Moderately toxic by ingestion. A skin and eye irritant. Migrates to food from packagmg materials. Violent reaction with F2, m03, diketene. When heated to decomposition it emits toxic fumes of Na2O.
5.5 Caution Statement
P264, P280, P305+P351+P338, P33, P313
5.5 Formulations/Preparations
Grade: "Food Chemical Codex"
/Available as/ anhydrous powder; granular USP, FCC and Technical grades
Dykon
5.6 WGK Germany
1
5.6 RTECS
AJ4300010
5.6 Protective Equipment and Clothing
Causes eye irritation.
5.7 Skin, Eye, and Respiratory Irritations
Causes eye irritation.
5.8 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

5.9 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 .

5.10 Toxicity
LD50 orally in Rabbit: 3530 mg/kg LD50 dermal Rabbit > 10000 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

6. NMR Spectrum
9. Other Information
9.0 Merck
14,8571
9.1 BRN
3595639
9.2 Description
Sodium acetate (CH3COONa) is the sodium salt of acetic acid. It appears as a colorless deliquescent salt with a wide range of applications. In industry, it can be used in textile industry to neutralize sulfuric acid waste streams and as a photoresist upon using aniline dyes. In concrete industry, it can be used as a concrete sealant to mitigate the water damage. In food, it can be used as a seasoning. It can also be used as a buffer solution in lab. In addition, it is also used in heating pads, hand warmers and hot ice. For laboratory use, it can be produced by the reaction between acetate with the sodium carbonate, sodium bicarbonate and sodium hydroxide. In industry, it is prepared from the glacial acetic acid and sodium hydroxide.
9.3 Chemical Properties
Anhydrous salt is a colorless crystalline solid; density 1.528 g/cm3; melts at 324°C; very soluble in water; moderately soluble in ethanol. The colorless crystalline trihydrate has a density 1.45 g/cm3; decomposes at 58°C; is very soluble in water; pH of 0.1M aqueous solution is 8.9; moderately soluble in ethanol, 5.3 g/100mL.
9.4 Chemical Properties
Sodium acetate, CH3COONa, also abbreviated NaOAc , also sodium ethanoate, is the sodium salt of acetic acid. This colourless salt has a wide range of uses.
9.5 Chemical Properties
Sodium acetate is odorless or has a faint acetous odor. It effloresces in warm, dry air.
9.6 Occurrence
Acetic acid or acetates are present in most plant and animal tissues in small, but detectable amounts
9.7 Uses
Sodium Acetate is a source of acetic acid that is obtained as crystals or powder. it has a solubility of 1 g in 0.8 ml of water.
9.8 Uses
Sodium Acetate, Anhydrous is a source of acetic acid obtained as a granular powder. it has a solubility of 1 g in 2 ml of water.
9.9 Uses
This colorless crystal, also known as sodium ethanoate or acetate of soda, was made by the reaction of acetic acid with sodium carbonate. It is soluble in water but less so in alcohol. Sodium acetate was used as a pH modifier for toning baths.
9.10 Uses
Sodium acetate is a mordant in dyeing. Other applications are in photography, as an additive to food, in purification of glucose, in preservation of meat, in tanning, and as a dehydrating agent. In analytical chemistry it is used to prepare buffer solution.
Sodium acetate can be used to preserve processed meats and it is often used in combination with other acid based preservatives like lactates and propionates. The typical inclusion level is 0.2 to 0.5%. Sodium acetate is also used in salad dressings and ready-to-eat meals.
9.11 Uses
Used as buffers.
Acidity regulation (buffering)
Sodium acetate mixed with acetic acid forms a pH buffer, which can be used to stabilise the pH of foods in the pH-range from 3 to 6. The table below gives indicative values of the composition needed to give a certain pH. The mixtures below can be diluted at least 10 times with minimum effect on pH, however, the stability decreases.
Acidity regulation (Sodium acetate buffering)
9.12 Preparation
Sodium acetate is prepared by reacting sodium hydroxide or sodium carbonate with acetic acid in aqueous solution. The solution is evaporated to obtain hydrated crystals of sodium acetate.
NaOH + CH3COOH → CH3COONa + H2O
Na2CO3 + CH3COOH → 2CH3COONa + CO2 + H2O
9.13 Definition
A white solid prepared by the neutralization of ethanoic acid with either sodium carbonate or sodium hydroxide. Sodium ethanoate reacts with sulfuric acid to form sodium hydrogensulfate and ethanoic acid; with sodium hydroxide it gives rise to sodium carbonate and methane. Sodium ethanoate is used in the dyeing industry.
9.14 Application
2 - 1 - Industrial
Sodium acetate is used in the textile industry to neutralize sulfuric acid waste streams, and as a photoresist while using aniline dyes. It is also a pickling agent in chrome tanning, and it helps to retard vulcanization of chloroprene in synthetic rubber production. In processing cotton for disposable cotton pads, sodium acetate is used to eliminate the buildup of static electricity.
2 - 2 - Concrete longevity
Sodium acetate is used to reduce the damage water can potentially do to concrete by acting as a concrete sealant, while also being environmentally benign and cheaper than the epoxy alternative that is usually employed for sealing concrete against water permeation.
2 - 3 - Food
Sodium acetate may be added to foods as a seasoning. It may be used in the form of sodium diacetate — a 1:1 complex of sodium acetate and acetic acid, given the E-number E262. A frequent use is to impart a salt and vinegar flavor to potato chips.
2 - 4 - Buffer solution
As the conjugate base of acetic acid, a solution of sodium acetate and acetic acid can act as a buffer to keep a relatively constant pH.
2 - 5 - Heating pad
Sodium acetate is also used in consumer heating pads or hand warmers and is also used in hot ice. Sodium acetate trihydrate crystals melt at 58.4°C , (to 58°C ) dissolving in their water of crystallization. When they are heated to around 100°C, and subsequently allowed to cool, the aqueous solution becomes supersaturated. This solution is capable of cooling to room temperature with out forming crystals.
9.15 Preparation
For laboratory use, sodium acetate is very inexpensive, and is usually purchased instead of being synthesized. It is sometimes produced in a laboratory experiment by the reaction of acetic acid (ethanoic acid) with sodium carbonate, sodium bicarbonate, or sodium hydroxide. These reactions produce aqueous sodium acetate and water. Carbon dioxide is produced in the reaction with sodium carbonate and bicarbonate, and it leaves the reaction vessel as a gas (unless the reaction vessel is pressurized). This is the well-known "volcano" reaction between baking soda (sodium bicarbonate) and vinegar.
CH3COOH + NaHCO3 → CH3COONa + H2O + CO2
Industrially, sodium acetate is prepared from glacial acetic acid and sodium hydroxide.
CH3COOH + NaOH → CH3COONa + H2O .
9.16 Reactions
Sodium acetate can be used to form an ester with an alkyl halide such as bromo ethane:
CH3COONa + Br CH2CH3→ CH3COOCH2CH3+ NaBr
Caesium salts catalyze this reaction.
9.17 General Description
Sodium Acetate is reported to inhibit the growth of Listeria monocytogenes.
9.18 Usage
For precipitation of nucleic acids and preparation of gel stains for protein gel electrophoresis. Acetate buffers for amine coupling of proteins to Biacore sensor chip surfaces. Studies on microbial pili suggest that sodium acetate suppressed K99 production in E. coli strains cultured on a minimal medium. Experiments have shown that when added to food waste composting systems, NaOAc may be effective at counteracting the adverse effects of organic acids produced in the composting process.
9.19 Usage
Acetate, 1M buffer soln., pH, 3.5 is used in dexoyribionucleic acid (DNA) and ribonucleic acid (RNA) precipitation. It is also used in the preparation of gel stains for protein gel electrophoresis.
9.20 Usage
Sodium Acetate is used as a buffer in the buffering range of pH 3.6-5.6. Other reported uses. Used in the purification and precipitation of nucleic acids; Used in protein crystallization. Staining of gels in protein gel electrophoresis and HPLC; Mordant dyeing. DNA microarray studies of E. coli response; Investigation of protein unfolding during reverse phase chromatography. Used in conjunction with sodium carbonate to enhance the activation of freeze-dried subtilisin Carlsberg in organic solvents and as a substrate of acetokinase.
9.21 Usage
Acetate, 1M buffer soln., pH, 5.5 it is been widely used in for precipitation of nucleic acids and preparation of gel stains for protein gel electrophoresis. Sodium acetate buffer solution is suitable for precipitation of DNA, elution of proteins and for use in molecular biology applications such as ChIP-on-ChIP assay and in vitro enzyme inhibition assay.
9.22 Usage
Sodium acetate is used as buffering agent with acetic acid. It is used in many areas like cosmetics, pharmaceuticals, agriculture, bronzing and textile industry. It is employed in production of dye materials, as a polymerization catalyst, as a polymer stabilizer, as a plating agent, preparation of gel stains, preservative in food production and flavor enhancer in the nutrient industry. Sodium acetate used in the study of lithography, photography. It is used as a base in several organic reactions in research laboratories and industries.
9.23 Usage
Sodium Acetate is used as a buffer in the buffering range of pH 3.6-5.6. And also used in the purification and precipitation of nucleic acids, in protein crystallization, Staining of gels in protein gel electrophoresis and HPLC. Mordant dyeing; DNA microarray studies of E. coli response. Investigation of protein unfolding during reverse phase chromatography. Used in conjunction with sodium carbonate to enhance the activation of freeze-dried subtilisin Carlsberg in organic solvents. As a substrate of acetokinase.
9.24 Usage
Sodium acetate buffer solution pH, 5.2 is been widely used in for precipitation of nucleic acids and preparation of gel stains for protein gel electrophoresis. Sodium acetate buffer solution is suitable for precipitation of DNA, elution of proteins and for use in molecular biology applications such as Chip-on-Chip assay and in vitro enzyme inhibition assay.
9.25 Usage
Sodium acetate buffer solution pH, 7.0 is been widely used in for precipitation of nucleic acids and preparation of gel stains for protein gel electrophoresis. Sodium acetate buffer solution is suitable for precipitation of DNA, elution of proteins and for use in molecular biology applications such as Chip-on-Chip assay and in vitro enzyme inhibition assay.
9.26 Usage
Sodium acetate, 99+%, anhydrous, is been widely used in for precipitation of nucleic acids and preparation of gel stains for protein gel electrophoresis. Sodium acetate buffer solution is suitable for precipitation of DNA, elution of proteins and for use in molecular biology applications such as ChIP-on-ChIP assay and in vitro enzyme inhibition assay.
9.27 Usage
Sodium acetate is usually used as buffering agent with acetic acid. It is used in many areas like cosmetics, pharmaceuticals, agriculture, bronzing and textile industry. It is employed in production of dye materials, as a polymerization catalyst, as a polymer stabilizer, preparation of gel stains, preservative in food production and flavor enhancer in the nutrient industry. Sodium acetate used in the study of lithography, photography and it is also a plating agent.
9.28 Storage features
Dry. Separated from strong acids and strong oxidants.
10. Computational chemical data
  • Molecular Weight: 82.03380g/mol
  • Molecular Formula: C2H3NaO2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 82.00307362
  • Monoisotopic Mass: 82.00307362
  • Complexity: 34.6
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 40.1
  • Heavy Atom Count: 5
  • 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: 2
  • CACTVS Substructure Key Fingerprint: AAADcQBAMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAAAACAgAACCAAAAAAIAACQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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