Ethylenediaminetetraacetic acid disodium salt

Iupac Name：disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate

Molecular Weight：336.20600

Modify Date.: 2022-11-25 02:13

Introduction: Ethylenediaminetetra-acetic acid (abbreviated as EDTA) is used in several industrial applications attributing to its high ability to bind to most of metal cations. EDTA is produced as several salts, e.g. ethylenediaminetetra-acetic acid disodium salt (EDTAS).EDTA and its salts are used as chelating agents in cosmetic formulations. EDTAS is a preservative, sequestrant, and stabilizer in foods. EDTA is added to ascorbic acid-disodium benzoate containing soft drinks to mitigate the formation of benzene. EDTA and its salts are used as a component in the production of food-contact paper and paperboard. EDTAS is permitted in the feed and drinking water of animals and/or for the treatment of food-producing animals. In the textile industry, EDTA and its salts prevent metal ion impurities from changing colors of dyed products. In the pulp and paper industry, EDTA and its salts inhibit the ability of metal ions from catalyzing the disproportionation of hydrogen peroxide (a typical bleaching agent). EDTAS is used in synthetic rubber manufacture. EDTAS is also used as a corrosion inhibitor to carbon steel in the industries. As an anticoagulant, EDTAS and tripotassium salts of EDTA are most commonly used. View more+

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1. Names and Identifiers

1.1 Name: Ethylenediaminetetraacetic acid disodium salt
1.2 Synonyms: (Ethylenedinitrilo)tetraacetic acid disodium salt (Ethylenedinitrilo)tetraacetic acid disodium salt,EDTA disodium salt,EDTA-Na2 4C EDTA Acetic acid, (ethylenedinitrilo)tetra-, disodium salt aqueous Na2EDTA Ceftriaxone Impurity 21（EDTA Disodium） cheladrate chelaplex Chelaplex III Disodium 2,2'-{1,2-ethanediylbis[(carboxymethyl)imino]}diacetate disodium 2,2'-{ethane-1,2-diylbis[(carboxymethyl)imino]}diacetate DISODIUM EDTA disodium ethylenediaminetetraacetate disodium ethylenediamintetraacetate Disodium salt of EDTA Disotate dotite2na Edetate disodium Edetic acid disodium salt EDTA disodium EDTA Disodium Dihydrate EDTA disodium salt EDTA NA2 EDTA two sodium EDTA-2NA EINECS 205-358-3 Endrate disodium ethylenediaminetetraacetic acid disodium Ethylenediaminetetraacetic acid disodium s Ethylenediaminetetraacetic acid, disodium salt Ethylenediaminetetraacetic acid,disodium salt,DNAse ethylenediaminetetraaceticacetate sodium Ethylenediaminetetraaceticaciddisodiumsalt Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, disodium salt kiresutob MFCD00070672 SEQUESTRENE NA2 SODIUM (DI) ETHYLENEDIAMINE TETRAACETATE DIHYDRATE Sodium N,N'-ethane-1,2-diylbis(N-(carboxymethyl)glycinate) Tetracemate disodium Titriplex III trilonbd Triplex III VERSENE DISODIUM Versene Disodium Salt VERSENE NA, DIHYDRATE WANKLYN'S EDTA

1.3 CAS No.: 139-33-3

1.4 CID: 8759

1.5 EINECS(EC#): 613-386-6

1.6 Molecular Formula: C10H14N2Na2O8 (isomer)

1.7 Inchi: InChI=1S/C10H16N2O8.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-2

1.8 InChkey: ZGTMUACCHSMWAC-UHFFFAOYSA-L

1.9 Canonical Smiles: C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+]

1.10 Isomers Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.[Na+].[Na+]

2. Properties

2.1 Density: 1.01g/mLat 25°C

2.1 Melting point: 248°C (dec.)(lit.)

2.1 Boiling point: >100°C

2.1 Refractive index: n20/D 1.363

2.1 Flash Point: 325.2oC

2.1 Precise Quality: 336.05500

2.1 PSA: 161.34000

2.1 logP: -4.74060

2.1 Solubility: H2O: clear, colorless

2.2 Appearance: White crystals

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: white crystalline solid

2.5 Color/Form: ≤5 (0.5?M)(APHA)

2.6 Decomposition: Disodium EDTA decomposes at 252 deg C.

2.7 PH: Between 6,5 and 7,5 (1 % solution)

2.8 Water Solubility: H2O: clear, colorless

2.9 Spectral Properties: IR: 230F (Aldrich Chemical Co., Inc., New York; Aldrich Library of Infrared Spectra, Aldrich Chemical Co., Milwaukee, WI)
NMR: 3:2D (Aldrich Library of Mass Spectra, Aldrich Chemical Co, Milwaukee, WI)

2.10 Stability: Generally, EDTA is stable as a solid and in aqueous solution. Only strong oxidizing agents can attack it chemically. The stability of EDTA-metal chelates increases according to the order: Na+

2.11 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Definition: ChEBI: An organic sodium salt that is the anhydrous form of the disodium salt of ethylenediaminetetraacetic acid (EDTA).

3.2 Methods of Manufacturing: Sodium chloroacetate and ethylenediamine condensation, the acidification of ethylenediaminetetraacetic acid, sodium hydroxide and then that was. The crude product was dissolved in 10-fold water, and an equal volume of ethanol was added to precipitate the disodium salt, then filtered and washed.

3.3 Produe Method: Disodium edetate may be prepared by the reaction of edetic acidand sodium hydroxide.

3.4 Usage: disodium EDTA is a preservative used in concentrations of 0.1 to 0.5 percent.

4. Safety and Handling

4.1 Symbol: GHS05

4.1 Hazard Codes: Xn

4.1 Signal Word: Danger

4.1 Risk Statements: R22; R36/37/38

4.1 Safety Statements: S26-S36-S37/39

4.1 Packing Group: Z01

4.1 Octanol/Water Partition Coefficient: log Kow = -3.86 /Estimated/

4.2 Other Preventative Measures: Personnel protection: Keep upwind. ... Avoid breathing vapors or dusts. Wash away any material which may have contacted the body with copious amounts of water or soap and water.
If material not involved in fire: Keep material out of water sources and sewers. Build dikes to contain flow as necessary.

4.3 Hazard Declaration: H314

4.3 Cleanup Methods: Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Cover solids with a plastic sheet to prevent dissolving in rain or fire fighting water.
Environmental considerations: Water spill: Add dilute caustic soda (NaOH). Adjust pH to neutral (pH). Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.

4.4 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.

4.5 RIDADR: 无资料?

4.5 Fire Fighting Procedures: If material involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.)

4.6 Safety Profile: Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. Experimental teratogenic and reproductive effects. Mutation data reported. The calcium disodium salt of EDTA is used as a chelating agent in treating lead poisoning. When heated to decomposition it emits toxic fumes of NOx and NasO.

4.7 Caution Statement: P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338

4.7 Incompatibilities: Disodium edetate behaves as a weak acid, displacing carbon dioxidefrom carbonates and reacting with metals to form hydrogen. It isincompatible with strong oxidizing agents, strong bases, metal ions,and metal alloys.

4.8 WGK Germany: 2

4.8 RTECS: AH4410000

4.8 Reactivities and Incompatibilities: Reacts violently with lead dioxide.
Reacts with oxidants.

4.9 Report: Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

4.10 Safety: Hazard Codes:?Xn
Risk Statements: 36/38-36/37/38-22?
R36/38:Irritating to eyes and skin.?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R22:Harmful if swallowed.
Safety Statements: 26-36-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 2
RTECS: AH4410000
Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. Experimental teratogenic and reproductive effects. Mutation data reported. The calcium disodium salt of EDTA is used as a chelating agent in treating lead poisoning. When heated to decomposition it emits toxic fumes of NO_x and Na₂O.

4.11 Specification: ?Ethylenediaminetetraacetic acid disodium salt (CAS NO.139-33-3) is also named as (Ethylenedinitrilo)-tetraacetic acid disodium salt ;?Edta disodium ; AI3-18049 ; CBC 50152966 ; CCRIS 3658 ; Cheladrate ; Chelaplex III ; Chelaton 3 ; Chelaton III ; Chelest 200 ; Chelest B ; Clewat N ; Complexon III ; DR-16133 ; Dinatrium ethylendiamintetraacetat ; Dinatrium ethylendiamintetraacetat [Czech] ; Diso-Tate ; Disodium (ethylenedinitrilo)tetraacetate ; Disodium (ethylenedinitrilo)tetraacetic acid ; Disodium EDTA ; Disodium diacid ethylenediaminetetraacetate ; Disodium dihydrogen ethylenediaminetetraacetate ; Disodium dihydrogen(ethylenedinitrilo)tetraacetate ; Disodium edathamil ; Disodium edetate ; Disodium edta, anhydrous ; Disodium ethylenediamine-N,N,N',N'-tetraacetate ; Disodium ethylenediaminetetraacetate ; Disodium ethylenediaminetetraacetic acid ; Disodium salt of EDTA ; Disodium sequestrene ; Ethylenediaminetetraacetate, disodium salt ; F 1 (VAN) ; F 1 (complexon) ; Kiresuto B ; N,N'-1,2-Ethanediylbis(N-(carboxymethyl)glycine) disodium salt ; NSC 2760 ; Perma kleer 50 crystals disodium salt ; Versene NA ; Versene Na2 ; Versonol 120 ; Zonon D .?Ethylenediaminetetraacetic acid disodium salt (CAS NO.139-33-3) is white crystalline solid.

4.12 Toxicity: ORL-RAT LD50 2000 mg kg-1, SCU-RAT LD50 3735 mg kg-1, ORL-MUS LD50 2050 mg kg-1, IPR-MUS LD50 260 mg kg-1, IVN-RBT LD50 47 mg kg-1

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H332 Harmful if inhaled H373 May cause damage to organs through prolonged or repeated exposure
Precautionary statement(s)
Prevention	P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P260 Do not breathe dust/fume/gas/mist/vapours/spray.
Response	P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P314 Get medical advice/attention if you feel unwell.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : in D2O

1H NMR : parameter in D2O

IR : KBr disc

IR : nujol mull

Raman : 4880 A,200 M,powder

7. Other Information

7.0 Storage Conditions: Sodium chloroacetate and ethylenediamine condensation, the acidification of ethylenediaminetetraacetic acid, sodium hydroxide and then that was. The crude product was dissolved in 10-fold water, and an equal volume of ethanol was added to precipitate the disodium salt, then filtered and washed.

7.1 Usage: It is widely used in textile industry. Usually applied to dissolve limescale. It is applied in textile industry, pulp and paper industry and also in chelation therapy. In cosmetics it acts as a sequestering agent. It acts as a corrosion inhibitor to carbon steel in the industries. It also acts as a food additive.

7.2 Usage: Ethylenediaminetetraacetic acid disodium salt is widely used in textile industry. Usually applied to dissolve limescale. It is applied in textile industry, pulp and paper industry and also in chelation therapy. In cosmetics, it acts as a sequestering agent. It acts as a corrosion inhibitor to carbon steel in the industries. It also acts as a food additive.

8. Computational chemical data

Molecular Weight: 336.20600g/mol
Molecular Formula: C₁₀H₁₄N₂Na₂O₈
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 336.05455397
Monoisotopic Mass: 336.05455397
Complexity: 336
Rotatable Bond Count: 9
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 10
Topological Polar Surface Area: 161
Heavy Atom Count: 22
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
CACTVS Substructure Key Fingerprint: AAADccBzPDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAAAADBgAQACAMAAgAIAACQCAAAAAAAAAAAAACIAAACQAAAACAQAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==