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Trisodium Nitrilotriacetate, Trisodium NTA, NTA-3Na, 5064-31-3

Trisodium Nitrilotriacetate, Trisodium NTA, NTA-3Na, 5064-31-3

Trisodium Nitrilotriacetate (NTA.Na₃)

CAS Number: 5064-31-3
EC Number: 225-768-6
Chemical Formula: C₆H₆NNa₃O₆
Molecular Weight: 257.09 g/mol
Synonyms: NTA Trisodium Salt, Trisodium NTA, Nitrilotriacetic Acid Trisodium Salt, Trisodium Aminotriacetate, Hampshire NTA, Sodium Nitrilotriacetate, Syntron A, Versene NTA 150, Versene NTA 335, Chemcolox 365 Powder, Masquol NP 140

1. CHEMICAL IDENTITY

Parameter Information
Product Name Trisodium Nitrilotriacetate
IUPAC Name Trisodium 2,2',2''-nitrilotriacetate
CAS Number 5064-31-3
EC Number 225-768-6
Molecular Formula C₆H₆NNa₃O₆
Molecular Weight 257.09 g/mol
Chemical Class Aminopolycarboxylic Acid Salt, Chelating Agent
Common Names NTA Na₃, Trisodium NTA, NTA Trisodium Salt

2. PHYSICAL PROPERTIES

Parameter Value
Physical State Solid
Color White to off-white
Appearance Crystalline powder
Odor Odorless
Melting Point >200°C (decomposes)
Density (20°C) ~0.85 g/cm³ (bulk density)
pH (1% solution, 20°C) 10.5 - 11.5 (strongly basic)
Hygroscopicity Slightly hygroscopic
Crystal Form White crystalline powder as monohydrate

3. SOLUBILITY PROPERTIES

Solvent Solubility (20°C)
Water Soluble (high solubility)
Ethanol Slightly soluble to sparingly soluble
Acetone Sparingly soluble
Organic Solvents Practically insoluble

4. CHEMICAL STRUCTURE AND PROPERTIES

Parameter Description
Chelating Agent Type Aminopolycarboxylate, Hexadentate ligand
Active Component Trisodium Nitrilotriacetate (typically monohydrate)
Active Content ≥90%
pKa Values pKa1 ~1.9, pKa2 ~2.5, pKa3 ~9.7 (free acid)
Stability pH Range 4 - 14 (wide pH range)
Thermal Stability High (stable up to >200°C)
Metal Binding Capacity Binds divalent and trivalent metal ions (Ca²⁺, Mg²⁺, Fe³⁺, Cu²⁺, Zn²⁺) in 1:1 ratio

Chemical Structure Note: NTA.Na₃ is an aminopolycarboxylic acid salt. Its structure contains three acetate groups (-CH₂COONa) attached to a single nitrogen atom. This structure allows it to form stable, water-soluble complexes with many metal ions. Its lower molecular weight compared to EDTA makes it more readily biodegradable.

5. COMPOSITION AND SPECIFICATIONS

Parameter Specification Method
Purity (NTA.Na₃, dry basis) ≥99.0% Titration
Active Content (as NTA) ≥90% Titration
Moisture Content ≤1.0% Karl Fischer
Chloride (Cl) ≤0.05% Titration
Sulfate (SO₄) ≤0.05% Gravimetric
Iron (Fe) ≤0.001% AAS/ICP
Heavy Metals (as Pb) ≤0.001% AAS/ICP
pH (1% solution, 20°C) 10.5 - 11.5 Potentiometric
Appearance White crystalline powder Visual
Free Acid ≤0.5% Titration

6. FUNCTIONAL PROPERTIES

Function Description
Chelating Agent (Sequestrant) Binds hardness ions (Ca²⁺, Mg²⁺); effectively chelates transition metals (Fe³⁺, Cu²⁺, Zn²⁺)
Water Softener Neutralizes water hardness in detergent formulations
Scale and Rust Remover Removes scale, rust, and salt deposits from metal surfaces
Metal Ion Controller Prevents deterioration, discoloration, precipitation, rancidity, and turbidity caused by metal ions
Formulation Stabilizer Remains stable across wide pH range (4-14) and at high temperatures
Solubility Enhancer Increases solubility of sparingly soluble metal salts

7. APPLICATIONS - DETERGENT AND CLEANING INDUSTRY

Application Function
Household Detergents (Powder and Liquid) Water softener, phosphate substitute chelating agent
Industrial Detergents Chelation, metal ion control
Automatic Dishwasher Detergents Scale and deposit prevention
Industrial Cleaners Metal surface cleaning, grease and soil removal
Car Shampoos Neutralizes hard water effects
Hard Surface Cleaners Soap scum and mineral deposit removal
Low-Phosphate and Phosphate-Free Detergents Alternative to STPP (sodium tripolyphosphate)

8. APPLICATIONS - INDUSTRIAL PROCESSES

Industry Application
Boiler Water Treatment Prevents and removes scale and salt deposits in heat exchangers and boilers
Pulp and Paper Metal ion control in process water; bleaching aid
Textile Dyeing auxiliary; fiber processing agent; prevents metal ion interference in dyeing and bleaching processes
Metal Processing Metal extraction, refining, and processing
Photographic Processing Metal ion control
Construction Materials Stabilizer as additive
Oil and Gas Metal ion control in process waters

9. APPLICATIONS - OTHER INDUSTRIES

Industry Application
Agriculture Fertilizer additive (micronutrient stabilization)
Cosmetics and Personal Care Chelating agent, preservative auxiliary
Pharmaceutical Excipient in pharmaceutical formulations
Synthetic Rubber Metal control in polymerization processes
Tanning (Leather) Process water treatment and metal control
Bleaching Processes Chelating agent and sequestering builder

10. METAL BINDING CAPACITY AND SELECTIVITY

Metal Ion Stability Constant (log K) Effectiveness Level
Fe³⁺ (Iron III) ~15.9 Very High
Cu²⁺ (Copper II) ~12.7 High
Zn²⁺ (Zinc) ~10.7 High
Ni²⁺ (Nickel) ~11.5 High
Co²⁺ (Cobalt) ~10.8 High
Ca²⁺ (Calcium) ~6.4 Moderate
Mg²⁺ (Magnesium) ~5.5 Moderate

Note: NTA.Na₃ is more readily biodegradable than EDTA, while EDTA has higher stability constants. Selection should be based on application requirements.

11. COMPARISON WITH OTHER CHELATING AGENTS

Property NTA.Na₃ EDTA.Na₄ STPP Citrate
Ca²⁺ Binding Capacity (mg/g) ~140 ~215 ~100 ~70
Biodegradability Ready (OECD: Rapid) Poor Moderate Complete
Phosphorus Content None None High None
pH Stability 4-14 4-12 7-10 4-8
Relative Cost Low Medium Low High
Carcinogenic Concern Yes (Cat. 2B/3) None None None
Environmental Persistence Low High Moderate Low

12. REGULATORY STATUS

Region/Agency Status Restrictions/Notes
EU (EC) Restricted Use Limited use in detergents as phosphate alternative; suspected carcinogen (Category 2)
USA (EPA) Restricted Use in detergents limited; possible human carcinogen (Group C)
Canada Restricted Use regulated; environmental monitoring required
Türkiye Restricted Used in compliance with EU regulations
Japan Still Used Use in detergents still common
JECFA Not Evaluated Not approved as food additive

Note: NTA and its salts are subject to increasing regulatory restrictions worldwide. Check local regulations before use.

13. SAFETY AND TOXICOLOGICAL PROFILE

Parameter Value
Acute oral toxicity (rat, LD₅₀) 1,100 - 1,600 mg/kg (moderate toxicity)
Acute dermal toxicity (rabbit, LD₅₀) >2,000 mg/kg
Acute inhalation (rat, LC₅₀) >5 mg/L (4 hours)
Skin irritation Mild to moderately irritating
Eye irritation Moderate to severely irritating (corrosive)
Skin sensitization Not a sensitizer
Carcinogenicity IARC: Group 2B (possibly carcinogenic to humans), NTP: Category 3
Reproductive Toxicity Adverse effects observed at high doses
Mutagenicity Positive in some tests
Target Organs Kidney, bladder

14. POTENTIAL HEALTH AND ENVIRONMENTAL CONCERNS

Concern Finding
Carcinogenicity Suspect NTA and its salts have been associated with kidney and bladder tumors in animal studies at high doses; classified as IARC Group 2B "possibly carcinogenic to humans"
Kidney Toxicity Kidney damage observed at high doses
Metal Mobilization Can mobilize accumulated heavy metals in sediments
Biodegradability Note Although more readily biodegradable than EDTA, complete degradation requires specific conditions
Regulatory Trend Use is increasingly restricted worldwide; shift toward alternative chelating agents (GLDA, MGDA)

Safety Note: NTA.Na₃ is a corrosive substance. Can cause injury to skin, eyes, and respiratory tract. Proper PPE is required when handling.

15. PERSONAL PROTECTIVE EQUIPMENT (PPE)

Protection Type Requirement
Respiratory Protection Dust mask (N95/P2); organic vapor cartridge for high concentrations
Hand Protection Nitrile or neoprene gloves
Eye Protection Chemical splash goggles + face shield (against dust)
Skin Protection Protective work clothing, dust-proof apron
Engineering Controls Local exhaust ventilation (for dust control)
Hygiene Measures Wash hands after handling; remove contaminated clothing

16. STORAGE CONDITIONS

Parameter Requirement
Storage Temperature 15-25°C (room temperature)
Humidity Low humidity (<60% RH) - hygroscopic
Container Tightly closed (plastic-lined paper bag)
Light Protection Not required
Shelf Life (proper storage) 24 months
Special Precautions Protect from excess moisture and heat; keep away from strong oxidizing agents
Chemical Stability Stable under normal conditions; decomposes at high temperatures (>200°C)

17. TRANSPORT AND HANDLING

Parameter Information
UN Number 1759 (corrosive solid, not otherwise specified)
Transport Class (ADR) 8 (Corrosive substance)
Packing Group III
Marine Pollutant No
Special Handling Minimize dust generation; avoid direct contact
Dust Hazard Not flammable but dust inhalation may cause irritation
Regulatory Note Labeling may be required for transport due to carcinogenic concern

18. ENVIRONMENTAL INFORMATION

Parameter Assessment
Biodegradability Ready (OECD 301B: >70% in 14 days) - better than EDTA
Ecotoxicity (Fish LC₅₀, 96 hours) 110 - 220 mg/L (moderate toxicity)
Daphnia magna EC₅₀ (48 hours) 40 - 80 mg/L
Algae EC₅₀ (72 hours) 20 - 50 mg/L
Bioaccumulation Low potential
Soil Mobility High (water soluble, mobile)
Heavy Metal Mobilization Can mobilize accumulated heavy metals in the environment
Risk to Water Bodies Does not contribute to eutrophication but metal mobilization is a concern
Sustainability Offers better biodegradability than EDTA and phosphates

19. PROCESS PROBLEMS SOLVED BY NTA.Na₃

Process Problem Solution Provided by NTA.Na₃
Metal Ion Catalyzed Degradation Binds pro-oxidant metal ions in products, preventing oxidation, rancidity, and color fading
Hardness Induced Scaling Prevents precipitation of Ca²⁺ and Mg²⁺ salts in heat exchangers, boilers, and pipes
Solution Instability Prevents precipitation, turbidity, and phase separation caused by metal ions
Detergent Efficiency Loss Binds hardness ions to maintain effectiveness of surfactants and other ingredients
Stain and Deposit Formation Prevents formation of metal salt stains on surfaces
Process Downtime Reduces scale and deposit accumulation on equipment, decreasing cleaning frequency and downtime

20. SUMMARY AND CRITICAL INFORMATION

Description: Trisodium Nitrilotriacetate (NTA.Na₃, CAS 5064-31-3) is an aminopolycarboxylic acid salt in the form of a white crystalline powder. It is a chelating agent that binds metal ions in aqueous systems across a wide pH range.

Key Advantages:

  • Better biodegradability compared to EDTA

  • High chelating capacity (especially for Ca²⁺, Mg²⁺, Fe³⁺)

  • Wide pH stability (4-14)

  • Low cost (more economical than EDTA and other alternatives)

  • Phosphate alternative in detergents

  • Suitable for liquid and powder formulations

  • High thermal stability

Key Disadvantages/Concerns:

  • IARC Group 2B classification (possibly carcinogenic to humans)

  • Use increasingly restricted worldwide

  • Associated with kidney and bladder tumors at high doses in animal studies

  • Corrosive (to skin and eyes)

  • Regulatory restrictions in some regions

Major Application Areas:

  • Household and industrial detergents (low-phosphate/phosphate-free formulations)

  • Boiler and heat exchanger water treatment

  • Textile processes (dyeing, bleaching)

  • Pulp and paper production

  • Metal processing and cleaning

  • Agriculture (fertilizer additive)

NTA.Na₃ vs. EDTA.Na₄ Comparison:

Property NTA.Na₃ EDTA.Na₄
Biodegradability Better Poor
Ca²⁺ Binding Capacity ~140 mg/g ~215 mg/g
Carcinogenic Concern Yes (Group 2B) None
Cost Lower Medium
Usage Trend Decreasing Increasing/Stable

Safety Assessment:

  • Handled as a corrosive substance

  • IARC Group 2B "possibly carcinogenic to humans"

  • Due to regulatory restrictions, alternative chelating agents (GLDA, MGDA, EDTA) are recommended where possible

  • Proper PPE is required for industrial use

Conclusion: NTA.Na₃ is a low-cost, high-performance chelating agent. However, due to carcinogenic concerns and increasing regulatory restrictions, alternative chelating agents (GLDA, MGDA, EDTA) should be preferred in new formulations. In existing applications, it should be used in compliance with local regulations and with appropriate PPE.

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