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Pentaerythritol Phosphate, PEPA, 5301-78-0

Pentaerythritol Phosphate, PEPA, 5301-78-0

PENTAERYTHRITOL PHOSPHATE (PEPA)

1. PRODUCT IDENTIFICATION AND CHEMICAL IDENTITY

Short Identity Section

Parameter Value
Product Name Pentaerythritol Phosphate
Abbreviation PEPA
Chemical Name 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide
Synonyms Pentaerythritol phosphate alcohol, 4-(Hydroxymethyl)-1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane, PEPA
CAS Number 5301-78-0
EC Number 610-937-2
Molecular Formula C₅H₉O₅P
Molecular Weight 180.10 g/mol
Chemical Class Phosphorus-based reactive flame retardant (intumescent)
Appearance White powder
Origin Synthetic
Application Halogen-free flame retardant, intumescent systems, polymer additive

Detailed Identification

Parameter Description
Chemical Name 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide
Other Names Pentaerythritol phosphate alcohol, 4-(Hydroxymethyl)-1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane, PEPA
CAS Number 5301-78-0
EC Number (EINECS) 610-937-2
Molecular Formula C₅H₉O₅P
Molecular Weight 180.10 g/mol
Chemical Class Organophosphorus compound (cyclic phosphate ester)
Appearance White powder
Odor Not specified
Taste Not applicable
Origin Synthetic
Application Halogen-free flame retardant intermediate

Description:
Pentaerythritol Phosphate (PEPA) is a phosphorus-based, halogen-free reactive intumescent flame retardant intermediate. Thanks to the terminal hydroxyl groups in its molecular structure, it is used as an important intermediate in the production of various phosphorus-containing flame retardants. PEPA can be used directly in polypropylene (PP), PBT, and other engineering plastics, and is also preferred in the formulation of adhesives, coatings, and intumescent flame retardant systems. It has low toxicity and provides effective flame retardant performance. The EC number is 610-937-2.

2. PHYSICAL AND CHEMICAL PROPERTIES

Property Value
Appearance White powder
Phosphorus Content (%) ≥ 17.0
Melting Range 195 – 215 °C (typically 211 °C)
Specific Gravity (25°C) 1.70 g/cm³ (some sources report 1.53 g/cm³)
Bulk Density (25°C) 1.06 g/cm³
Boiling Point ~270.9 °C
Flash Point ~117.6 °C
Molecular Weight 180.10 g/mol

Note: There are minor variations in melting point and density values among sources. For precise values, refer to the supplier's specification.

3. SOLUBILITY PROFILE

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

Note: Specific solubility data for PEPA are not available in the sources.

4. CHEMICAL PROPERTIES AND REACTIONS

Property Description
Chemical Class Organophosphorus compound (cyclic phosphate ester)
Unique Structure Bicyclic phosphate structure with terminal hydroxyl groups
Acid-Base Properties Data not found
Chemical Stability Good thermal stability
Thermal Stability High (up to melting point)
Hydrolytic Stability Data not found
Oxidizing Agents Data not found

Incompatibilities

  • Strong oxidizing agents (general precaution)

Chemical Reactions

  • Reactive Intermediate: Terminal hydroxyl groups can react in the synthesis of phosphorus-containing flame retardants.

  • Intumescent Effect: Forms phosphoric acid under heat, promoting char formation and creating a protective barrier.

5. SPECIFICATIONS

Parameter Specification
Appearance White powder
Phosphorus Content (%) ≥ 17.0
Melting Range 195 – 215 °C
Specific Gravity (25°C) 1.70 g/cm³
Bulk Density (25°C) 1.06 g/cm³
CAS Number 5301-78-0
EC Number 610-937-2
Molecular Formula C₅H₉O₅P
Molecular Weight 180.10 g/mol

Packaging Options

Packaging Type Weight
Kraft Paper Bag 25 kg
Custom Packaging On request

6. APPLICATIONS AND INDUSTRIAL USES

6.1 Primary Application Areas

Sector Application
Plastics Industry Polypropylene (PP), Polybutylene Terephthalate (PBT), engineering plastics, thermoplastics
Flame Retardant Systems Halogen-free intumescent formulations, phosphorus flame retardant syntheses, flame retardant masterbatch production
Coatings and Adhesives Fire-resistant coatings, protective paint systems, industrial adhesive formulations
Electrical and Electronics Cable components, electronic housing parts, electrical equipment

6.2 Key Advantages

  • Provides halogen-free solutions.

  • Safer for the environment and human health.

  • High-efficiency phosphorus source.

  • Excellent compatibility with intumescent systems.

  • Can be used in a wide variety of polymer systems.

  • Enhances the effectiveness of flame retardant formulations.

  • Exhibits good thermal stability.

6.3 Application Notes

PEPA is typically used in intumescent systems together with the following components:

  • Ammonium Polyphosphate (APP)

  • Melamine

  • Melamine Phosphate

  • Melamine Pyrophosphate

  • Di-Pentaerythritol

  • Char-forming carbon sources

The optimal usage ratio should be determined through laboratory studies based on the final polymer system and the targeted flame retardant standard.

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 chemical intermediate. 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 chemical intermediate.

9. SAFETY AND TOXICOLOGY

9.1 Acute Toxicity

Parameter Value
Oral LD₅₀ (rat) > 500 mg/kg (RTECS)
Dermal LD₅₀ Data not found
Inhalation LC₅₀ Data not found
Skin Irritation Causes skin irritation (H315)
Eye Irritation Causes serious eye irritation (H319)
Respiratory Irritation May cause respiratory irritation (H335)
Skin Sensitization Data not found

9.2 Chronic Toxicity

Endpoint Classification
Carcinogenicity Not classified (no data)
Mutagenicity Not classified (no data)
Reproductive Toxicity Not classified (no data)
STOT – Single Exposure STOT SE 3 (H335) – May cause respiratory irritation
Environmental Toxicity Aquatic Chronic 4 (H413) – May cause long lasting harmful effects to aquatic life

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
STOT – Single Exposure STOT SE 3 H335 – May cause respiratory irritation
Aquatic Chronic Toxicity Aquatic Chronic 4 H413 – May cause long lasting harmful effects to aquatic life
Signal Word Warning -
Pictograms GHS07 (Exclamation mark) -

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

9.4 Precautionary Statements

Code Statement
P261 Avoid breathing dust.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352 IF ON SKIN: Wash with plenty of soap and water.
P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.
P501 Dispose of contents/container to local/regional/national/international regulations.

9.5 Safety Precautions and PPE

Hazards:

  • Causes skin irritation

  • Causes serious eye irritation

  • May cause respiratory irritation

  • May cause long lasting harmful effects to aquatic life

PPE (recommended):

  • Chemical-resistant gloves

  • Safety goggles

  • Suitable work clothing

  • Dust mask (if dust is generated)

9.6 Environmental Fate

Parameter Value
Biodegradability Data not found
Aquatic Toxicity Aquatic Chronic 4 (H413)
Bioaccumulation Data not found
Ecotoxicity Classification Aquatic Chronic 4 (H413)

10. TRANSPORT INFORMATION

Parameter Information
UN Number Not regulated as a dangerous good
Proper Shipping Name Pentaerythritol Phosphate
Hazard Class Not classified
Packing Group Not applicable
Marine Pollutant Data not found
ADR/RID Not classified
IMDG Not classified
IATA Not classified
HS Code 2934.99 (suggested)

Note: According to available data, the product is not classified as a dangerous good for transport.

11. REGULATORY INFORMATION

Region / Standard Status
EU (REACH) Registered (EC 610-937-2)
USA (TSCA) May be listed
Turkey (KKDİK) Data not found
Pharmacopoeia Not applicable
FDA Not applicable

Note: The substance has an EC number and is registered under REACH.

12. STORAGE AND HANDLING

Parameter Information
Storage Conditions Keep containers tightly closed. Store in a dry and cool place. Protect from moisture. Avoid direct sunlight.
Container Requirements Keep tightly closed in original packaging.
Materials to Avoid Strong oxidizing agents.
Recommended Storage Temperature Room temperature (some sources recommend +2 to +8 °C)
Shelf Life Data not found (stable under proper conditions)
Hygroscopicity Data not found
Handling Notes Use appropriate PPE. Follow local occupational health and safety regulations.
Packaging Options 25 kg kraft paper bag, other packaging on request

13. FIREFIGHTING MEASURES

Parameter Information
Fire Hazard Non-flammable (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 (dust mask, safety goggles, protective clothing, gloves)
Ventilation Provide adequate ventilation
Control Avoid dust generation; contain spill if safe to do so
Cleaning Methods Use vacuum or careful sweeping to prevent dust; 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
Pentaerythritol Main raw material
Phosphoric Acid or Phosphorus Oxychloride Phosphorus source

16.2 Downstream Products

Downstream Product Application
Intumescent Flame Retardant Systems Fire-resistant coatings, plastics
Phosphorus Flame Retardant Intermediates Chemical synthesis

17. SECTORAL SUITABILITY AND USAGE LEVELS

Sector Application Area Example Use Suitability
Plastics Flame retardant additive PP, PBT, engineering plastics High
Coatings Fire-resistant coatings Protective paints High
Electrical/Electronics Cable and housing parts Flame retardant components High
Adhesives Industrial adhesives Flame retardant formulations Moderate

18. CARBON DIOXIDE ABSORPTION AND REAGENTS

Not applicable. PEPA is an industrial flame retardant intermediate and is not used for CO₂ absorption or as a chemical reagent.

19. DERIVATIVES AND RELATED COMPOUNDS

Compound Description CAS Number
Pentaerythritol Precursor for PEPA synthesis 115-77-5
Ammonium Polyphosphate (APP) Acid source in intumescent systems 68333-79-9
Melamine Blowing agent in intumescent systems 108-78-1
Di-Pentaerythritol Carbon source in intumescent systems 126-58-9

Note: PEPA is an intermediate used in combination with APP and melamine in intumescent systems.

20. SUMMARY AND CRITICAL WARNINGS

SUMMARY

Pentaerythritol Phosphate (PEPA) is a phosphorus-based, halogen-free reactive intumescent flame retardant intermediate. Thanks to the terminal hydroxyl groups in its molecular structure, it is used as an important intermediate in the production of various phosphorus-containing flame retardants. PEPA can be used directly in polypropylene (PP), PBT, and other engineering plastics, and is also preferred in the formulation of adhesives, coatings, and intumescent flame retardant systems.

The chemical name is 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide, with CAS number 5301-78-0 and EC number 610-937-2. It appears as a white powder with a phosphorus content of ≥17.0% and a melting range of 195–215°C.

Key Properties

Property Value
Appearance White powder
Chemical Name 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide
CAS Number 5301-78-0
EC Number 610-937-2
Molecular Formula C₅H₉O₅P
Molecular Weight 180.10 g/mol
Phosphorus Content ≥ 17.0 %
Melting Range 195 – 215 °C
Specific Gravity (25°C) 1.70 g/cm³

Main Application Areas

Sector Applications
Plastics Flame retardant for PP, PBT, engineering plastics
Flame Retardant Systems Halogen-free intumescent formulations
Coatings and Adhesives Fire-resistant coatings, adhesives
Electrical/Electronics Cable components, housing parts

Key Safety Points

  • SKIN IRRITATION: Causes skin irritation (H315).

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

  • RESPIRATORY IRRITATION: May cause respiratory irritation (H335).

  • AQUATIC TOXICITY: May cause long lasting harmful effects to aquatic life (H413).

  • PPE REQUIRED: Use chemical-resistant gloves, safety goggles, and suitable work clothing. Use a dust mask if dust is generated.

  • STORAGE: Keep containers tightly closed in a dry and cool place, protected from moisture and direct sunlight.

  • DISPOSAL: Dispose of according to local regulations.

Critical Warnings

  • PEPA may cause skin, eye, and respiratory irritation.

  • It may have long lasting harmful effects on aquatic life; avoid release to the environment.

  • This TDS contains completed 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/EC numbers, and data completed from reliable sources (ECHA, manufacturer SDSs, technical databases). 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 Pentaerythritol Phosphate (PEPA).

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