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Cyclic Phosphonate Ester, Organophosphorus Flame Retardant, 170836-68-7

Cyclic Phosphonate Ester, Organophosphorus Flame Retardant, 170836-68-7

CYCLIC PHOSPHONATE ESTER

1. PRODUCT IDENTIFICATION AND CHEMICAL IDENTITY

Short Identity Section

Parameter Value
Product Name Cyclic Phosphonate Ester
Chemical Type Organophosphorus Flame Retardant
CAS Number 170836-68-7 (mixture)
Component 1 (5-Ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl methylphosphonate (CAS 41203-81-0)
Component 2 Bis[(5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl] methylphosphonate (CAS 42595-45-9)
Molecular Formula C₂₄H₅₁O₁₅P₅ (for the mixture)
Molecular Weight 734.5 g/mol
Appearance Colorless to light yellow, slightly hazy viscous liquid
Origin Synthetic
Application Flame retardant for textiles (polyester, polycotton) and PU back-coating

Detailed Identification

Parameter Description
Chemical Name Cyclic Phosphonate Ester (mixture)
Other Names Antiblaze CU/CT, Hopeflam CT, CU
CAS Number 170836-68-7 (mixture of two components)
EC Number No single EC number because it is a mixture
Molecular Formula C₂₄H₅₁O₁₅P₅
Molecular Weight 734.5 g/mol
Chemical Class Organophosphorus compound (cyclic phosphonate ester)
Appearance Colorless to light yellow viscous liquid
Odor Not specified
Origin Synthetic
Application Textile flame retardant, PU back-coating

Description:
Cyclic Phosphonate Ester is a highly efficient phosphorus-based flame retardant designed for textile applications. The product exhibits high phosphorus content, excellent water solubility, and non-corrosive characteristics. It is particularly suitable for durable flame-retardant finishing of polyester and polyester/cotton blended fabrics. The product can also be utilized in polyurethane (PU) back-coating systems where enhanced flame-retardant performance is required. Different grades are available to meet various processing requirements and active content levels. CAS 170836-68-7 technically refers to a mixture of two cyclic phosphorus esters.

2. PHYSICAL AND CHEMICAL PROPERTIES

Technical Specifications (Grade A and Grade B)

Property Grade A Grade B
Active Component (%) 100 93
Phosphorus Content (%) ≥ 20 ≥ 20
pH Value 2.0 – 3.0 2.0 – 3.0
Density (g/cm³ @ 25°C) 1.2 – 1.3 1.2 – 1.3
Viscosity (cPs @ 20°C) 20,000 – 50,000 2,000 – 10,000
Acid Number (mg KOH/g) ≤ 30 ≤ 20

Physical Appearance

Property Description
Appearance Clear to slightly hazy viscous liquid
Color Colorless to light yellow
Solubility Completely soluble in water

Note: Values are typical and may vary by source and production batch.

3. SOLUBILITY PROFILE

Solvent Solubility Conditions
Water Completely soluble -
Organic Solvents Data not found -

Note: The product is stated to be completely soluble in water. Solubility data in organic solvents are not provided in the sources.

4. CHEMICAL PROPERTIES AND REACTIONS

Property Description
Chemical Class Organophosphorus compound (cyclic phosphonate ester)
Unique Structure Cyclic phosphonate ester structure; high phosphorus content
Acid-Base Properties Acidic (pH 2.0 – 3.0)
Chemical Stability Stable under normal conditions
Thermal Stability > 200°C (decomposition temperature)
Hydrolytic Stability Soluble in water; hydrolytic stability data limited
Oxidizing Agents Avoid contact with strong oxidizing agents

Incompatibilities

  • Strong oxidizing agents

  • Strong bases (care should be taken for pH adjustment)

Chemical Reactions

  • Flame Retardancy Mechanism: Decomposes under heat to form phosphoric acid; this acid catalyzes char formation on the polymer surface and creates a protective barrier. It also interrupts the flame chain reaction by releasing phosphorus radicals in the gas phase.

5. SPECIFICATIONS

Parameter Specification
Active Component (%) 100 (Grade A); 93 (Grade B)
Phosphorus Content (%) ≥ 20
pH Value 2.0 – 3.0
Density (25°C) 1.2 – 1.3 g/cm³
Viscosity (20°C) 20,000 – 50,000 cPs (Grade A); 2,000 – 10,000 cPs (Grade B)
Acid Number ≤ 30 mg KOH/g (Grade A); ≤ 20 mg KOH/g (Grade B)
CAS Number 170836-68-7 (mixture)
Molecular Formula C₂₄H₅₁O₁₅P₅
Molecular Weight 734.5 g/mol

Packaging Options

Packaging Type Weight
Plastic Drum 125 kg
IBC Container 1,250 kg
Iron Drum 250 kg (some suppliers)

6. APPLICATIONS AND INDUSTRIAL USES

6.1 Recommended Application (Durable Flame-Retardant Treatment)

For Polyester and Polycotton Fabrics

Component Dosage
Cyclic Phosphonate Ester 6 – 15 kg
Water 20 kg
20% Na₂HPO₄ Solution, Na₂CO₃ or 25% Ammonia 4 – 8 kg
Penetrating Agent 0.05 – 0.20 kg
Additional Water Dilute to 100 kg total bath

Application Procedure:

  1. Add water to the mixing vessel.

  2. Add Cyclic Phosphonate Ester under stirring.

  3. Adjust pH to 5.5 – 6.5 using sodium phosphate solution, sodium carbonate, or ammonia.

  4. Add the penetrating agent and mix thoroughly.

  5. Dilute with water to a total bath weight of 100 kg.

  6. Apply using conventional padding and curing processes.

6.2 Application Areas

  • Durable flame-retardant finishing of polyester fabrics.

  • Durable flame-retardant finishing of polyester/cotton blended fabrics.

  • PU back-coating applications.

  • Textile finishing systems requiring enhanced flame resistance.

  • Industrial textile processing and technical textiles.

6.3 Benefits

  • High phosphorus content.

  • Excellent flame-retardant efficiency.

  • Outstanding water solubility.

  • Non-corrosive formulation.

  • Easy application in textile finishing processes.

  • Good compatibility with conventional auxiliaries.

  • Suitable for durable flame-retardant finishes.

  • Durability to more than 50 washes (technical product data).

7. BIOLOGICAL AND STRUCTURAL PROPERTIES

Property Description
Essentiality Not applicable
Synthesis Not applicable
Unique Structure Not applicable
Protein Structure Not applicable
Primary Function Not applicable
Physiological Role Not applicable

Note: This product is an industrial textile chemical. It is not intended for biological, pharmaceutical, or food applications.

8. BIOCHEMICAL APPLICATIONS

Application Description
Cell Culture Not applicable
Protein Research Not applicable
Metabolomics Not applicable
Microbiology Not applicable

Note: Not applicable for this industrial textile chemical.

9. SAFETY AND TOXICOLOGY

9.1 Acute Toxicity

Parameter Value
Oral LD₅₀ (rat) 1,383 – 1,854 mg/kg
Dermal LD₅₀ (rat) > 2,000 mg/kg
Inhalation LC₅₀ (rat, 4 hours) > 15.57 mg/L (dust/mist)
Skin Irritation Causes skin irritation (H315)
Eye Irritation Causes serious eye irritation (H319)
Skin Sensitization Sensitizing (Buehler test positive)

9.2 Chronic Toxicity

Endpoint Classification
Carcinogenicity Not classified (not listed by IARC, NTP, OSHA)
Mutagenicity Negative (Ames test and chromosome aberration test)
Reproductive Toxicity Not classified (no data)
STOT – Repeated Exposure Not classified (NOAEL: 25 mg/kg/day, oral, rat)

9.3 GHS Classification

Classification Category Hazard Statement
Skin Irritation Skin Irrit. 2 H315 – Causes skin irritation
Eye Irritation Eye Irrit. 2 H319 – Causes serious eye irritation
Skin Sensitization Skin Sens. 1 H317 – May cause an allergic skin reaction
Signal Word Warning -
Pictograms GHS07 (Exclamation mark) -

Note: GHS classification is based on the most common classifications in available SDSs. Some suppliers may use additional classifications.

9.4 Precautionary Statements

Code Statement
P264 Wash skin thoroughly after handling.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352 IF ON SKIN: Wash with plenty of soap and water.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.
P333+P313 If skin irritation or rash occurs: Get medical advice/attention.
P337+P313 If eye irritation persists: Get medical advice/attention.
P362+P364 Take off contaminated clothing and wash it before reuse.

9.5 Safety Precautions and PPE

Hazards:

  • Causes skin irritation

  • Causes serious eye irritation

  • May cause an allergic skin reaction

PPE (recommended):

  • Chemical-resistant gloves

  • Safety goggles

  • Suitable work clothing

9.6 Environmental Fate

Parameter Value
Biodegradability Not specified
Aquatic Toxicity (Fish, LC₅₀, 96h) > 500 mg/L (Danio rerio)
Daphnia magna (EC₅₀, 48h) 931 mg/L
Bioaccumulation Low potential (log Pow: 0.73)
Ecotoxicity Classification Not classified as hazardous to the aquatic environment

10. TRANSPORT INFORMATION

Parameter Information
UN Number Not regulated
Proper Shipping Name Cyclic Phosphonate Ester
Hazard Class Not classified as dangerous goods
Packing Group Not applicable
Marine Pollutant No
ADR/RID Not classified
IMDG Not classified
IATA Not classified
HS Code 3824.90 (for mixture)

Note: Based on available data, the product is not classified as dangerous goods under transport regulations.

11. REGULATORY INFORMATION

Region / Standard Status
EU (REACH) Mixture components may be registered; no single registration for the mixture
USA (TSCA) Components may be listed
Turkey (KKDİK) Data not found
Pharmacopoeia Not applicable
FDA Not applicable

Note: Since the product is a mixture, regulatory status depends on the registration status of the components (CAS 41203-81-0 and 42595-45-9).

12. STORAGE AND HANDLING

Parameter Information
Storage Conditions Store in tightly closed original containers in a cool, dry, and well-ventilated area. Protect from direct sunlight, heat sources, and moisture.
Container Requirements Keep tightly closed in original packaging.
Materials to Avoid Strong oxidizing agents.
Shelf Life 12 months in unopened original packaging under recommended storage conditions.
Hygroscopicity Not specified
Handling Notes Use appropriate PPE. Follow local occupational health and safety regulations.
Packaging Options 125 kg plastic drum, 1,250 kg IBC container.

13. FIREFIGHTING MEASURES

Parameter Information
Fire Hazard Non-flammable liquid (product is designed as a flame retardant)
Extinguishing Media Water spray, dry chemical, CO₂, alcohol-resistant foam
Special Hazards Thermal decomposition may release phosphorus oxides and carbon oxides
Protective Equipment Self-contained breathing apparatus (SCBA) and full protective clothing

14. ACCIDENTAL RELEASE MEASURES

Parameter Information
Personal Protection Use appropriate PPE (gloves, goggles, protective clothing)
Ventilation Provide adequate ventilation
Control Contain spill; prevent entry into waterways
Cleaning Methods Absorb with inert material; place in appropriate disposal container
Environmental Precautions Prevent entry into drains, sewers, and water bodies
Waste Disposal Dispose of according to local regulations

15. FIRST AID MEASURES

Exposure Route Action to Take
Inhalation Move person to fresh air. If breathing is difficult, give oxygen. Seek medical attention.
Skin Contact Wash with plenty of soap and water. Seek medical attention if irritation persists.
Eye Contact Rinse immediately with plenty of water for at least 15 minutes (keeping eyelids open). Seek medical attention.
Ingestion Rinse mouth with water. Do NOT induce vomiting. Drink plenty of water. Seek medical attention.

16. RAW MATERIALS AND DOWNSTREAM PRODUCTS

16.1 Raw Materials (Upstream)

Raw Material Description
Phosphoric Acid Derivatives Main raw material
Organic Intermediates For esterification reaction

16.2 Downstream Products

Downstream Product Application
Flame-Retardant Polyester Fabrics Textiles (apparel, home textiles, technical textiles)
PU Back-Coated Fabrics Industrial textiles

17. SECTORAL SUITABILITY AND USAGE LEVELS

Sector Application Area Example Use Suitability
Textiles Flame-retardant finishing Polyester and polycotton fabrics High
Textiles PU back-coating Industrial coatings High
Industrial Textiles Technical textiles Protective clothing, tarpaulins High

18. CARBON DIOXIDE ABSORPTION AND REAGENTS

Not applicable. Cyclic Phosphonate Ester is an industrial textile chemical and is not used for CO₂ absorption or as a chemical reagent.

19. DERIVATIVES AND RELATED COMPOUNDS

Compound Description CAS Number
Component 1 (5-Ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl methylphosphonate 41203-81-0
Component 2 Bis[(5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl] methylphosphonate 42595-45-9

Note: The commercial product (CAS 170836-68-7) is a mixture of these two components.

20. SUMMARY AND CRITICAL WARNINGS

SUMMARY

Cyclic Phosphonate Ester is a highly efficient phosphorus-based flame retardant designed for textile applications. The product exhibits high phosphorus content, excellent water solubility, and non-corrosive characteristics. It is particularly suitable for durable flame-retardant finishing of polyester and polyester/cotton blended fabrics. The product can also be utilized in polyurethane (PU) back-coating systems where enhanced flame-retardant performance is required. CAS 170836-68-7 technically refers to a mixture of two cyclic phosphorus esters (CAS 41203-81-0 and 42595-45-9).

Key Properties

Property Value
Appearance Clear to slightly hazy viscous liquid
Chemical Type Organophosphorus Flame Retardant
CAS Number 170836-68-7 (mixture)
Molecular Formula C₂₄H₅₁O₁₅P₅
Molecular Weight 734.5 g/mol
Phosphorus Content ≥ 20 %
pH (solution) 2.0 – 3.0
Density (25°C) 1.2 – 1.3 g/cm³
Water Solubility Completely soluble

Main Application Areas

Sector Applications
Textiles Flame-retardant finishing for polyester and polycotton fabrics
Textiles PU back-coating applications
Industrial Textiles Technical textiles

Key Safety Points

  • SKIN IRRITATION: Causes skin irritation (H315).

  • EYE IRRITATION: Causes serious eye irritation (H319).

  • SENSITIZING: May cause an allergic skin reaction (H317).

  • PPE REQUIRED: Use chemical-resistant gloves, safety goggles, and suitable work clothing.

  • STORAGE: Store in a cool, dry, well-ventilated area, away from direct sunlight. Keep containers tightly closed.

  • DISPOSAL: Dispose of according to local regulations.

Critical Warnings

  • The product is a mixture of two different cyclic phosphonate esters (CAS 170836-68-7).

  • May cause skin and eye irritation; risk of allergic skin reaction.

  • This TDS contains complete toxicological, transport, firefighting, and first aid data, but always refer to the supplier's official SDS/MSDS.

  • Do not use this TDS as a substitute for the official SDS/MSDS.

  • Users are responsible for determining the suitability of the product for their specific applications and for complying with all applicable regulations and safety requirements.

Disclaimer:
This Technical Data Sheet (TDS) is for informational purposes only. The information provided is based on the original source document, verified CAS numbers, and data completed from reliable sources (ECHA, manufacturer SDSs). However, the user is solely responsible for determining the suitability of the product for their specific applications and for complying with all applicable regulations and safety requirements. For complete safety, handling, storage, and regulatory compliance information, always refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier. Users are responsible for testing the product in their own processes and applications. All local, national, and international regulations must be followed when working with Cyclic Phosphonate Ester.

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