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Neopentyl Glycol, Neopentylene Glycol, NPG, 504-63-2

Neopentyl Glycol, Neopentylene Glycol, NPG, 504-63-2

Product Name: Neopentyl Glycol (NPG)
CAS No: 504-63-2
EC No (EINECS): 208-419-9
Chemical Formula: C₅H₁₂O₂
Molecular Weight: 104.15 g/mol
REACH Status: Registered

1. PRODUCT DESCRIPTION AND CHEMICAL IDENTITY

Parameter Description
Chemical Name (IUPAC) 2,2-Dimethyl-1,3-propanediol
Other Names Neopentyl Glycol, NPG, Neopentyl Glycol, 2,2-Dimethylpropane-1,3-diol, Neopentylene Glycol
CAS Number 504-63-2
EC Number (EINECS) 208-419-9
Molecular Formula C₅H₁₂O₂
Molecular Weight 104.15 g/mol
Chemical Class Aliphatic diol, primary diol, neopentyl-structured polyol
Appearance White crystalline solid, flakes or powder
Odor Mild characteristic or odorless
Taste Not determined as technical product
REACH Status Registered

CHEMICAL STRUCTURE AND DESCRIPTION:

Neopentyl Glycol (NPG) is a symmetrical aliphatic diol containing two primary hydroxyl (-OH) groups. Its structure has a central carbon atom bonded to two methyl (-CH₃) groups and two hydroxymethyl (-CH₂OH) groups. This structure gives NPG its “neopentyl” character.

Structural Formula (Open Structure):

CH₃
|
HO-CH₂-C-CH₂-OH
|
CH₃

(2,2-Dimethyl-1,3-propanediol)

These structural features:

Give NPG a high crystalline structure and low volatility.

Provide high reactivity in esterification and polyesterification reactions.

Increase hydrolytic and thermal stability due to steric hindrance.

Help form polymer structures resistant to oxidation and hydrolysis.

NPG is an important chemical intermediate used as a building block in many industrial applications such as resins, coatings, lubricants, plastics, and adhesives.

2. PHYSICAL AND CHEMICAL PROPERTIES

Property Value
Molecular Formula C₅H₁₂O₂
Molecular Weight 104.15 g/mol
Appearance White crystalline solid, flakes or powder
Odor Mild characteristic or odorless
Density 1.06 g/cm³ (20 °C)
Melting Point 124–128 °C
Boiling Point 210–215 °C (760 mmHg)
Flash Point >130 °C
Autoignition Temperature Approx. 390 °C (typical)
Vapor Pressure Very low (negligible at 20 °C)
Solubility Soluble in water, alcohols, and glycols
Stability Stable under recommended storage conditions
Hydroxyl Value Approx. 1070–1090 mg KOH/g
pH (aqueous solution) Near neutral
Volatility Low
Hygroscopicity May absorb slight moisture; store in dry conditions

NPG is a white crystalline diol with low volatility. Its melting point is in the range of 124–128 °C. It boils at 210–215 °C. Its density is about 1.06 g/cm³. Its flash point is >130 °C. It is soluble in water, alcohols, and glycols. It has high chemical stability and is resistant to oxidation and hydrolysis.

3. SOLUBILITY PROFILE

Solvent Solubility Conditions
Water High solubility (approx. 830 g/L) 20 °C
Methanol Soluble -
Ethanol Soluble -
Isopropanol Soluble -
Acetone Soluble -
Ethyl acetate Soluble / limited -
Glycols Soluble -
Aliphatic hydrocarbons Insoluble or very slightly soluble -
Aromatic hydrocarbons Limited solubility -

Due to its polar structure, NPG is readily soluble in polar solvents such as water, alcohols, glycols, and ketones. Its solubility in aliphatic hydrocarbons is low. This property makes it useful in aqueous and polar solvent-based formulations.

4. CHEMICAL PROPERTIES AND REACTIONS

Property Description
Chemical Class Aliphatic primary diol
Reactivity Esterification, transesterification, polyesterification, urethane formation
Hydrolytic Stability High
Thermal Stability Good
Oxidation Resistance High
Polymerization Does not undergo hazardous spontaneous polymerization; forms polyesters and polyurethanes in controlled reactions
Compatibility Carboxylic acids, anhydrides, isocyanates, esters
Substances to Avoid Strong oxidizing agents, strong acids, strong bases
Hazardous Decomposition Products Carbon monoxide (CO), carbon dioxide (CO₂), aldehydes, and organic vapors

Thanks to its two primary hydroxyl groups, NPG undergoes esterification with carboxylic acids, reaction with anhydrides, and urethane formation with isocyanates. It is a key building block in polyester resins, alkyd resins, and polyurethane systems. Its neopentyl structure provides steric protection, increasing the hydrolytic stability, thermal resistance, and weather resistance of the resulting polymers.

5. SPECIFICATIONS (TECHNICAL/INDUSTRIAL GRADE)

Parameter Specification
Purity (GC) ≥ 99.0%
Appearance White crystalline flakes or powder
Color (Pt-Co) ≤ 10 Hazen
Melting Point 124–128 °C
Hydroxyl Value 1070–1090 mg KOH/g
Acid Value ≤ 0.1 mg KOH/g
Water Content ≤ 0.1%
Ash ≤ 0.05%
Iron (Fe) ≤ 1 ppm
Heavy Metals ≤ 10 ppm
pH (aqueous solution) 6–8
Hygroscopicity May absorb slight moisture
Shelf Life 24 months (under proper storage)

NPG is produced in technical grade with high purity. In industrial applications, batch-to-batch consistency, color stability, and low impurity content are important. High purity is particularly preferred in coating, resin, and lubricant applications.

6. APPLICATIONS AND INDUSTRIAL USES

6.1. Resins and Coatings

Application Description
Polyester Resins Provides durability, hydrolytic stability, and weather resistance
Alkyd Resins Increases gloss, hardness, and durability in paints and coatings
Powder Coatings Provides outdoor durability and chemical resistance
Industrial Coatings Used in automotive, appliance, and architectural coatings

NPG is an important diol component in the production of polyester and alkyd resins. Thanks to its neopentyl structure, the UV resistance, hydrolytic stability, and thermal resistance of coatings are increased.

6.2. Plastics and Polymers

Application Description
Polymer Formulations Increases flexibility and thermal stability
Polyurethanes Provides hardness, strength, and chemical resistance
Polyesters Used in high-performance engineering plastics

NPG is used as a chain extender or building block in polyurethane and polyester-based polymer systems. It gives polymers hardness, flexibility, and chemical resistance.

6.3. Lubricants and Hydraulic Fluids

Application Description
Synthetic Lubricants Provides high thermal stability and oxidation resistance
Hydraulic Fluids Provides wear resistance and viscosity stability
Ester-Based Lubricants Used in biodegradable lubricant formulations

NPG esters are used in the production of synthetic lubricants that remain stable under high temperature and oxidizing conditions.

6.4. Construction Chemicals

Application Description
Adhesives Provides strength and flexibility
Sealants Increases chemical resistance and adhesion performance
Composites Improves performance in resin systems

6.5. Automotive

Application Description
Automotive Coatings Increases scratch and chemical resistance
Plastic Parts Provides thermal stability and surface quality
Adhesives Provides structural strength and flexibility

6.6. Other Applications

Application Description
Plasticizers Ester derivatives are used as plasticizers
Ester Intermediates Used in the production of lubricant and coating esters
Solvent Intermediates Used as intermediates in chemical syntheses

7. STRUCTURAL AND FUNCTIONAL PROPERTIES

Property Description
Structural Class Aliphatic primary diol
Functional Groups Two -OH (hydroxyl) groups
Neopentyl Structure Contains two methyl groups on the central carbon atom
Steric Effect Increases hydrolytic and thermal stability
Crystalline Structure High crystallinity, low volatility
Reactivity High tendency toward esterification and urethane reactions
Polymer Contribution Provides hardness, flexibility, chemical resistance, and UV resistance

The neopentyl structure of NPG provides steric protection in polymer chains. As a result, the resulting resins and coatings are more resistant to hydrolysis, oxidation, and UV effects.

8. INDUSTRIAL PROCESSES AND TECHNICAL APPLICATIONS

Application Description
Esterification Reacts with carboxylic acids to form esters
Polyesterification Forms polyester resins with dicarboxylic acids
Urethane Formation Used in polyurethane systems with isocyanates
Transesterification Used as an intermediate in ester exchange reactions
Alkyd Resin Synthesis Used in the production of alkyd resins with fatty acids and anhydrides
Powder Coating Production Used in high-performance powder coating resins

9. SAFETY AND TOXICOLOGY

Parameter Value
GHS Classification Not classified as a hazardous substance
Oral LD50 (Rat) > 5000 mg/kg
Skin Irritation May be mildly irritating
Eye Irritation May be mildly irritating
Respiratory Irritation Dust inhalation may cause irritation
Skin Sensitization Not expected
Mutagenicity Not classified
Carcinogenicity Not classified
Bioaccumulation Not likely
WGK Germany 1 (slightly hazardous to water)

NPG is a chemical with low toxicity. It may cause mild irritation on contact with eyes and skin. Inhalation of dust should be avoided. It is not classified as a hazardous substance.

10. TRANSPORT INFORMATION

Parameter Information
UN Number Not applicable (not a hazardous substance)
Hazard Class Not a hazardous substance
Packing Group Not applicable
Proper Shipping Name Neopentyl Glycol (NPG)
Marine Pollutant No
ADR/RID Label Not applicable

NPG is not classified as a hazardous substance. There are no special restrictions for its transport by sea, land, or air.

11. REGULATORY INFORMATION

Region Status
EU REACH registered
USA (TSCA) Listed
EINECS 208-419-9
Turkey (KKDİK) Should be evaluated within compliance and registration requirements
Food Contact Not suitable for technical grade; special grade required for food contact
Hazardous Substance No

12. STORAGE AND HANDLING

Parameter Information
Storage Conditions Cool, dry, well-ventilated area
Temperature 2–30 °C (ideal); should not exceed 40 °C
Container Requirements Tightly closed bag or container
Moisture Control Dry environment to prevent moisture absorption
Substances to Avoid Strong oxidizing agents, direct sunlight, high temperature
Shelf Life 24 months (under proper storage)
Handling Notes Avoid dust formation; use PPE
Packaging Options 25 kg bag, 500 kg jumbo bag; custom packaging upon request

Handling Notes:

Avoid dust formation.

Use appropriate personal protective equipment (gloves, goggles, mask).

Avoid contact with skin and eyes.

Protect from moisture and direct sunlight.

13. FIRE-FIGHTING MEASURES

Parameter Information
Fire Hazard Combustible solid; dust cloud may be flammable/explosive
Flash Point >130 °C
Extinguishing Media Water spray, foam, CO₂, dry chemical powder
Special Hazards Thermal decomposition may release CO, CO₂, and organic vapors
Protective Equipment Self-contained breathing apparatus (SCBA), full protective clothing

NPG may burn at high temperatures. Dust cloud formation should be prevented. In case of fire, appropriate extinguishing media should be used, and firefighting personnel should wear protective equipment.

14. ACCIDENTAL RELEASE MEASURES

Parameter Information
Personal Protection Dust mask, protective goggles, gloves, protective clothing
Ventilation Ventilate the area
Containment Prevent dust spread
Cleaning Methods Carefully sweep or vacuum; place in suitable disposal container
Environmental Precautions Prevent entry into drains, sewers, and water sources
Waste Disposal Dispose of according to local regulations

In case of a spill, clean up while preventing dust formation. Dispose of waste properly. Prevent environmental release.

15. FIRST AID MEASURES

Exposure Route Action
Inhalation Move the person to fresh air. Seek medical attention if irritation persists.
Skin Contact Wash with plenty of water and soap. Remove contaminated clothing.
Eye Contact Rinse with plenty of water for at least 15 minutes. Seek medical attention if irritation persists.
Ingestion Rinse mouth with water. Drink plenty of water. Do not induce vomiting. Seek medical attention.

16. RAW MATERIALS AND BY-PRODUCTS

16.1. Raw Materials (Upstream)

Raw Material Description
Isobutyraldehyde Precursor in NPG synthesis
Formaldehyde Used in aldol condensation reaction
Hydrogen Used in hydrogenation step

16.2. By-Products (Downstream)

By-Product Application
NPG Esters Lubricants, plasticizers
Polyester Resins Coatings, powder paints
Polyurethanes Adhesives, elastomers, coatings
Alkyd Resins Paints and varnishes
Powder Coating Resins Automotive, appliance, architectural coatings

17. INDUSTRY SUITABILITY AND USE LEVELS

Industry Application Area Example Use Suitability
Coatings Polyester, alkyd, powder coating Automotive, architectural, industrial paints High
Plastics Polymer additive Engineering plastics High
Lubricants Synthetic esters Hydraulic fluids, lubricants High
Construction Adhesive, sealant Composites, adhesives Suitable
Automotive Coating, plastic, adhesive Vehicle coatings, parts High
Chemistry Ester intermediate Plasticizer, synthesis Suitable

18. CHEMICAL REACTIONS AND DERIVATIVE CHEMISTRY

NPG can undergo many chemical reactions due to its two primary hydroxyl groups:

Reaction Description
Esterification Forms esters with carboxylic acids
Polyesterification Forms polyester resins with dicarboxylic acids
Transesterification Reacts with esters to perform ester exchange
Urethane Formation Forms polyurethanes with isocyanates
Etherification Can form ether bonds under suitable conditions
Acrylation Forms NPG diacrylate derivatives with acrylic acid

NPG derivatives are widely used in coatings, adhesives, lubricants, and polymer systems.

19. DERIVATIVES AND RELATED COMPOUNDS

Compound Description
NPG Diacrylate Used in UV-curable coatings
NPG Dimethacrylate Used in polymer and coating systems
NPG Adipate Polyester plasticizer and lubricant
NPG Terephthalate Used in polyester resins
Hydroxypivalyl Hydroxypivalate (HPHP) Intermediate in NPG production
Trimethylolpropane (TMP) Similar polyol structure; used in coatings and resins
Pentaerythritol Multifunctional polyol; used in coatings and resins

20. SUMMARY AND IMPORTANT PRECAUTIONS

SUMMARY:
Neopentyl Glycol (NPG) is a white crystalline diol with the formula C₅H₁₂O₂ and CAS number 504-63-2. It contains two primary hydroxyl groups. Thanks to its neopentyl structure, it exhibits high chemical stability, low volatility, and hydrolytic resistance. It is widely used in resins, coatings, plastics, lubricants, adhesives, and automotive applications. It particularly increases durability and weather resistance in polyester, alkyd, and powder coating resins. It has low toxicity and is not classified as a hazardous substance. It should be stored in a cool, dry, and well-ventilated area in tightly closed containers.

Key Properties:

Property Value
Appearance White crystalline solid, flakes or powder
Chemical Formula C₅H₁₂O₂
Molecular Weight 104.15 g/mol
CAS Number 504-63-2
Melting Point 124–128 °C
Boiling Point 210–215 °C
Density 1.06 g/cm³ (20 °C)
Flash Point >130 °C
Solubility Water, alcohols, glycols
Chemical Class Aliphatic primary diol
Primary Use Resin, coating, lubricant, plastic

Main Applications:

Industry Applications
Resins and Coatings Polyester, alkyd, powder coating
Plastics Polymer additive, polyurethane
Lubricants Synthetic esters, hydraulic fluids
Construction Adhesive, sealant, composite
Automotive Coatings, plastic parts, adhesives
Chemistry Ester intermediates, plasticizers

Key Safety Points:

LOW TOXICITY: Not a hazardous substance; LD50 > 5000 mg/kg

MILD IRRITATION: May cause mild irritation to eyes and skin

DUST CONTROL: Inhalation of dust should be avoided

STORAGE: Cool, dry, well-ventilated; should not exceed 40 °C

PPE RECOMMENDED: Gloves, protective goggles, dust mask

INCOMPATIBLE: Strong oxidizing agents

CRITICAL WARNINGS:

NPG is an aliphatic diol containing two primary hydroxyl groups. It shows high reactivity in esterification and polyurethane reactions.

Its neopentyl structure gives polymers hydrolytic stability, thermal resistance, and UV resistance.

It is used as a building block in polyester, alkyd, and powder coating resins.

It is an important intermediate in the production of polyurethanes, lubricants, and plasticizers.

It is soluble in water and polar solvents; its solubility in aliphatic hydrocarbons is low.

It is combustible at high temperatures; dust cloud formation should be prevented.

It is not classified as a hazardous substance; however, appropriate PPE should be used in industrial handling.

It should be stored in tightly closed containers to prevent moisture absorption.

Important Statement: This Technical Data Sheet (TDS) is for informational purposes only. The information provided is based on available data and is believed to be accurate. However, the user is solely responsible for determining the suitability of the product for their own specific applications and for complying with all applicable regulations and safety requirements. For complete safety, use, storage, and regulatory compliance information, always refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier. Users are obligated to test the product in their own processes and applications. All local, national, and international regulations must be followed when working with NPG.

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