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Propylene Carbonate, Cyclic Carbonate, 108-32-7

Propylene Carbonate, Cyclic Carbonate, 108-32-7

PROPYLENE CARBONATE - PROPİLEN KARBONAT
Cyclic Carbonate - Carbonic Acid Propylene Ester - 4-Methyl-1,3-dioxol-2-one
CAS: 108-32-7

Product Name Propylene Carbonate
CAS Number 108-32-7
EC Number 203-572-1
Chemical Class Cyclic Carbonate
Synonyms Propylene Carbonate, 1,2-Propanediol Carbonate, 4-Methyl-1,3-dioxol-2-one, 1-Methylethylene Carbonate, Cyclic Carbonate, Carbonic Acid Propylene Ester, Carbonic Acid Cyclic Methylethylene

ITEM 1: PRODUCT IDENTITY AND NOMENCLATURE

Parameter Description
IUPAC Name 4-Methyl-1,3-dioxolan-2-one
Chemical Formula C₄H₆O₃
Molecular Weight 102.09 g/mol
CAS Number 108-32-7
EC Number 203-572-1
Synonyms Propylene Carbonate, 1,2-Propanediol Carbonate, 4-Methyl-1,3-dioxol-2-one, 1-Methylethylene Carbonate, Cyclic Carbonate, Carbonic Acid Propylene Ester, Carbonic Acid Cyclic Methylethylene
HS Code 2920.90.00.00.00
REACH Status Registered and compliant

Description: Propylene Carbonate is a five-membered cyclic carbonate ester derived from propylene glycol and carbon dioxide. It is a colorless, odorless, flammable liquid with a high boiling point and low volatility. It is an aprotic polar solvent with excellent solubility for a wide range of organic and inorganic compounds. Propylene Carbonate is widely used in lithium-ion batteries as an electrolyte solvent, in gas purification for CO₂ and H₂S removal, as a solvent in polymer and coatings industries, and as a chemical intermediate for dimethyl carbonate production. Its production via CO₂ fixation contributes to green chemistry and greenhouse gas reduction.

ITEM 2: CHEMICAL STRUCTURE AND MOLECULAR PROPERTIES

Parameter Description
Chemical Family Cyclic Carbonate
Structure Five-membered ring with carbonate group (-O-CO-O-)
Functional Groups Carbonate ester (-O-CO-O-)
Molecular Structure Five-membered cyclic carbonate with methyl substituent
SMILES CC1COC(=O)O1
InChI Key RUOJZAUFBMNUDX-UHFFFAOYSA-N
Ring Size 5-membered (cyclic)
Dielectric Constant 64.4 (25°C)
Dipole Moment 4.9 D

Structural Formula:

text

      O
      ||
    O-C-O
   /     \
  CH     CH₂
   |     /
   CH₃  /

Description: Propylene Carbonate is a five-membered cyclic carbonate ester. The molecule consists of a carbonate group (-O-CO-O-) incorporated into a five-membered ring with a methyl substituent. Its cyclic structure provides high polarity, excellent solvency, and a high dielectric constant (64.4), making it an excellent solvent for electrolytes in lithium-ion batteries and various chemical applications.

ITEM 3: PHYSICAL APPEARANCE AND FORM

Parameter Specification Test Method
Appearance Clear, colorless liquid Visual Inspection
Physical Form Liquid Visual Inspection
Color Practically colorless Visual Inspection
Odor Odorless to slight ether-like Organoleptic
Clarity Clear, free from sediment Visual Inspection
Purity ≥ 99.0% GC

Description: Propylene Carbonate is a clear, colorless, practically odorless liquid with a slight ether-like odor. It is supplied as a free-flowing liquid with high purity (>99.0%). The product contains no visible sediment or turbidity.

ITEM 4: PHYSICAL PROPERTIES

Property Specification Typical Value Test Method
Density (20°C) 1.200 – 1.210 g/cm³ 1.204 g/cm³ ASTM D4052
Density (25°C) 1.195 – 1.205 g/cm³ 1.204 g/cm³ ASTM D4052
Refractive Index (20°C) 1.418 – 1.423 1.421 ASTM D1218
Viscosity (25°C) ~2.5 cP 2.5 cP
Viscosity (20°C) ~2.8 cP 2.8 cP
Surface Tension ~41 dyn/cm
Dielectric Constant 64.4 (25°C)
Dipole Moment 4.9 D

Description: Propylene Carbonate has a density of approximately 1.204 g/cm³ at 25°C and a refractive index of 1.421. Its low viscosity (2.5 cP) and high dielectric constant (64.4) make it an excellent solvent for electrolyte formulations in lithium-ion batteries. The high dipole moment (4.9 D) contributes to its powerful solvating ability.

ITEM 5: THERMAL PROPERTIES

Property Specification / Value Test Method
Melting Point -49 to -55 °C DSC
Freezing Point -49 to -55 °C DSC
Boiling Point 238 – 240 °C
Flash Point 128 °C ASTM D93
Auto-ignition Temperature ~415 °C
Vapor Pressure (20°C) 0.13 mmHg
Specific Heat ~1.5 J/g·K
Thermal Conductivity ~0.20 W/m·K

Description: Propylene Carbonate has a low melting point of -49 to -55°C and a high boiling point of 238-240°C. The flash point is 128°C, indicating moderate flammability. The low vapor pressure (0.13 mmHg at 20°C) indicates low volatility. This wide liquid range makes it suitable for a variety of applications.

ITEM 6: SOLUBILITY AND MISCIBILITY

Solvent / Medium Solubility / Miscibility
Water (20°C) 240 g/L (partially miscible)
Benzene Completely miscible
Chloroform Completely miscible
Ethyl Acetate Completely miscible
Carbon Tetrachloride Completely miscible
Acetone Completely miscible
Methanol Completely miscible
Ethanol Completely miscible
Ether Completely miscible
Toluene Completely miscible
Naphtha Partially miscible
Mineral Oils Partially miscible

Description: Propylene Carbonate is highly miscible with water (240 g/L at 20°C) and completely miscible with most organic solvents including benzene, chloroform, ethyl acetate, carbon tetrachloride, acetone, methanol, ethanol, ether, and toluene. It is partially miscible with naphtha and mineral oils. Its excellent solvating ability makes it a versatile solvent for many applications.

ITEM 7: PURITY AND ANALYTICAL SPECIFICATIONS

Parameter Specification Typical Value Test Method
Purity (GC) ≥ 99.0% 99.5% GC
Purity (Battery Grade) ≥ 99.99% 99.99% GC
Water Content (Karl Fischer) ≤ 0.05% 0.02% Karl Fischer
Color (APHA) ≤ 20 10 ASTM D1209
Density (25°C) 1.195 – 1.205 g/cm³ 1.204 ASTM D4052
Refractive Index (20°C) 1.418 – 1.423 1.421 ASTM D1218
Acid Value (mg KOH/g) ≤ 0.01 0.005 Titration
Heavy Metals (Pb) ≤ 10 ppm <5 ppm ICP-MS
Chloride (Cl) ≤ 5 ppm <1 ppm Ion Chromatography
Sulfate (SO₄) ≤ 5 ppm <1 ppm Ion Chromatography
Appearance Clear liquid Passes Visual

Description: Propylene Carbonate is supplied in various purity grades. Technical grade meets ≥99.0% purity, while battery grade meets ≥99.99% purity for high-performance lithium-ion battery applications. Low water content, acid value, and ionic impurities are critical for battery applications. Heavy metal and chloride content are strictly controlled.

ITEM 8: LITHIUM-ION BATTERY APPLICATIONS

Application Function / Description
Electrolyte Solvent Primary solvent for lithium-ion battery electrolytes
Graphite Anode Protection Forms protective layer on graphite anode
Conductivity Enhancer Improves ionic conductivity of electrolytes
Lithium Salt Solvent Dissolves lithium salts (LiPF₆, LiBF₄)
SEI Film Formation Contributes to stable solid electrolyte interphase formation
Battery Performance Improves low-temperature performance
Safety Additive Contributes to battery safety
High Voltage Stability Good oxidative stability up to high voltages
Wetting Agent Improves wetting of electrode materials
Cosolvent Used in combination with other solvents (EC, EMC, DMC)

Key Properties for Battery Applications:

Property Requirement
Purity ≥ 99.99% (Battery Grade)
Water Content ≤ 20 ppm
Acid Value ≤ 0.01 mg KOH/g
Conductivity High ionic conductivity
Electrochemical Stability Stable up to high voltages
Viscosity Low viscosity
Dielectric Constant High dielectric constant (64.4)

Description: Propylene Carbonate is one of the most important solvents in lithium-ion battery electrolytes. Its high dielectric constant (64.4) enables effective dissolution of lithium salts, while its low viscosity ensures good ionic conductivity. It provides excellent compatibility with graphite anodes and contributes to the formation of a stable solid electrolyte interphase (SEI) film. Battery-grade Propylene Carbonate must meet strict purity specifications for optimal battery performance and safety.

ITEM 9: GAS PURIFICATION APPLICATIONS

Application Function / Description
Natural Gas Treatment Effective solvent for CO₂ and H₂S removal
Acid Gas Removal Removes CO₂, H₂S, and other acid gases
Gas Sweetening Sweetens natural gas and refinery gases
Selective Absorption Selective absorption of acid gases
Physical Solvent Physical solvent process
Non-corrosive Non-corrosive to equipment
Low Volatility Minimizes solvent losses
Energy Efficiency Lower regeneration energy compared to amines

Description: Propylene Carbonate is used as a physical solvent for the removal of acid gases (CO₂, H₂S) from natural gas and refinery gas streams. It offers several advantages over chemical solvents: it is non-corrosive, has low volatility, and requires lower regeneration energy. It selectively absorbs acid gases while minimizing hydrocarbon co-absorption. The process is widely used in the gas processing industry.

ITEM 10: CHEMICAL INDUSTRY APPLICATIONS

Application Function / Description
Dimethyl Carbonate Production Raw material for DMC synthesis
Chemical Intermediate Intermediate for various chemical syntheses
Solvent Solvent for polymers, resins, and dyes
Extraction Extraction solvent for olefins and aromatics
Plasticizer Plasticizer for polymers
Pigment Dispersant Dispersant for pigments and dyes
Synthesis Reactions Used in phosgene-free DMC production
Organic Synthesis Reactant in organic synthesis
Polymer Production Component in polymer formulations

Description: In the chemical industry, Propylene Carbonate is used as a solvent, chemical intermediate, and reactant. It is a key raw material for dimethyl carbonate (DMC) production through phosgene-free transesterification processes. It is used as a solvent for polymers, resins, dyes, and pigments. It also serves as an extraction solvent for separating olefins and aromatic hydrocarbons.

ITEM 11: COATINGS AND INKS APPLICATIONS

Application Function / Description
UV-Curable Coatings Reactive solvent, viscosity modifier
UV-Curable Inks Reactive solvent, viscosity modifier
Paint Formulations Solvent for resins and pigments
Wood Coatings Solvent, plasticizer
Automotive Coatings Solvent, viscosity modifier
Industrial Coatings Solvent, plasticizer
Printing Inks Solvent, viscosity modifier
Adhesives Solvent, plasticizer
Lacquers Solvent, plasticizer

Description: In coatings and inks, Propylene Carbonate is used as a solvent, viscosity modifier, and reactive diluent in UV-curable formulations. It provides excellent solvency for resins and pigments, contributes to film formation, and improves application properties. Its high boiling point ensures good leveling and film quality.

ITEM 12: WOOD ADHESIVE APPLICATIONS

Application Function / Description
Phenolic Resin Alternative Used as an alternative to phenolic resins
Wood Adhesives Binder for wood composites
Formaldehyde-Free Free of formaldehyde emissions
Green Adhesive Environmentally friendly adhesive
Particleboard Binder for particleboard production
Fiberboard Binder for fiberboard production
Plywood Adhesive for plywood production
Laminates Adhesive for laminated wood products

Description: Propylene Carbonate is used as an alternative to phenolic resins in wood adhesive applications. It provides a formaldehyde-free, environmentally friendly binder for wood composites such as particleboard, fiberboard, and plywood. Its use contributes to reduced VOC emissions and improved indoor air quality.

ITEM 13: ANALYTICAL CHEMISTRY APPLICATIONS

Application Function / Description
Gas Chromatography Stationary phase in GC
Geological Enrichment Enrichment agent for geological samples
Extraction Extraction solvent for analytical applications
HPLC Mobile Phase Mobile phase component
Sample Preparation Solvent for sample preparation
Spectroscopy Solvent for spectroscopic analysis

Description: In analytical chemistry, Propylene Carbonate is used as a stationary phase in gas chromatography. It is also used as an extraction solvent and enrichment agent for geological samples. Its high purity grades are suitable for HPLC mobile phase and sample preparation applications.

ITEM 14: PRODUCTION METHODS

Method Description
Phosgene Method Propylene glycol + phosgene → hydroxyisopropyl chloroformate; reaction with NaOH → propylene carbonate; purification by vacuum distillation. Disadvantage: Phosgene is toxic, high safety risk
Transesterification Method Reaction of propylene glycol with methyl carbonate derivatives
Chloropropanol Method Synthesis from chloropropanol derivatives
Propylene Oxide + CO₂ Method (Green Synthesis) Reaction of propylene oxide + CO₂ at 150-160°C, 5 MPa pressure; purification by vacuum distillation; Environmental advantage: CO₂ chemical fixation, greenhouse gas reduction; Catalysts: K₂CO₃, Sn-organic compounds, heterogeneous catalysts

Description: Propylene Carbonate is produced by several methods. The most environmentally friendly method is the direct reaction of propylene oxide with carbon dioxide (CO₂ fixation), which contributes to greenhouse gas reduction. This "green synthesis" method uses catalysts such as potassium carbonate, organotin compounds, or heterogeneous catalysts at elevated temperature and pressure. The phosgene method is less preferred due to safety concerns.

ITEM 15: SECTOR COMPATIBILITY MATRIX

Industry Suitability Application Notes
Battery / Energy Storage Excellent Lithium-ion battery electrolyte solvent Critical application
Gas Processing Excellent CO₂ and H₂S removal Widely used
Chemical Industry Excellent Solvent, intermediate, DMC production Broad use
Coatings & Inks Good UV-curable coatings, inks, paints Growing use
Wood Adhesives Good Alternative to phenolic resins Environmentally friendly
Analytical Chemistry Good GC stationary phase, extraction Specialized use
Pharmaceuticals Limited Solvent Limited use
Cosmetics Limited Solvent Limited use

ITEM 16: REGULATORY STATUS

Region Status
USA FDA approved for use
European Union Approved for use
Japan Approved for use
China Approved for use
REACH (EU) Registered and compliant
TSCA (USA) Listed
EINECS (EU) 203-572-1
GHS Classification Xi - Irritant (R36 - Irritating to eyes)
FDA GRAS (Generally Recognized as Safe)

Description: Propylene Carbonate is approved for use in various applications in all major global markets. It is registered under REACH and listed in TSCA and EINECS. The GHS classification is Xi - Irritant, with R36 (Irritating to eyes). It is FDA approved for certain food contact applications.

ITEM 17: SAFETY AND TOXICOLOGICAL PROFILE

Parameter Description
Acute Oral Toxicity (LD50) 34,900 mg/kg (rat)
Acute Oral Toxicity (LD50) 20,700 mg/kg (mouse)
Acute Dermal Toxicity (LD50) > 20,000 mg/kg (rabbit)
Skin Irritation Moderate irritant (rabbit, 500 mg)
Eye Irritation Moderate irritant (rabbit, 60 mg)
Inhalation May cause respiratory irritation
Carcinogenicity Not classified
Mutagenicity Not classified
Reproductive Toxicity Not classified
GHS Hazard Class Xi - Irritant
Risk Phrase R36 - Irritating to eyes
Fire Risk Flammable; contact with open flame, high heat, oxidizers
Extinguishing Alcohol-resistant foam recommended
Storage Temperature Below +30°C, cool, ventilated area, closed iron drums

Description: Propylene Carbonate has very low acute oral toxicity (LD50 34,900 mg/kg rat). It causes moderate skin and eye irritation. It is not classified as a carcinogen, mutagen, or reproductive toxicant. It is flammable and should be stored away from heat, open flames, and oxidizing agents. Alcohol-resistant foam is recommended for fire extinguishing.

ITEM 18: ENVIRONMENTAL AND STRATEGIC IMPORTANCE

Parameter Description
Green Chemistry Production via CO₂ chemical fixation reduces greenhouse gas emissions
Sustainable Technology Contributes to carbon capture and utilization
Energy Sector Critical role as an electrolyte in lithium-ion batteries
Industrial Versatility Broad applications as solvent and raw material
Renewable Feedstock Potential for production from bio-based sources
Biodegradability Readily biodegradable
VOC Emissions Low VOC emissions due to low volatility

Description: Propylene Carbonate has significant environmental and strategic importance. Its production via CO₂ fixation (reaction of propylene oxide with carbon dioxide) contributes to greenhouse gas reduction and carbon capture utilization. Its critical role as a lithium-ion battery electrolyte solvent supports the transition to sustainable energy storage. Its industrial versatility as both a solvent and chemical intermediate makes it a valuable material across multiple sectors.

ITEM 19: STORAGE AND SHELF LIFE

Parameter Description
Storage Temperature Below +30°C
Storage Conditions Cool, dry, well-ventilated area
Moisture Keep away from moisture; store in tightly closed containers
Light Protect from direct sunlight
Materials to Avoid Strong oxidizers, acids, bases, open flames
Packaging Materials Stainless steel, iron drums, HDPE
Shelf Life 24 months (unopened, recommended conditions)
Signs of Degradation Discoloration, odor change, acidity increase

Description: Propylene Carbonate should be stored below +30°C in a cool, dry, well-ventilated area. Store in tightly closed containers to prevent moisture absorption. Keep away from strong oxidizers, acids, bases, and open flames. The shelf life is typically 24 months when stored under recommended conditions.

ITEM 20: SYNONYMS AND ALIASES

Name Description
Propylene Carbonate Most common name
1,2-Propanediol Carbonate Chemical name
4-Methyl-1,3-dioxol-2-one IUPAC name
1-Methylethylene Carbonate Chemical name
Cyclic Carbonate Class name
Carbonic Acid Propylene Ester Chemical name
Carbonic Acid Cyclic Methylethylene Chemical name
PC Abbreviation
4-Methyl-1,3-dioxolan-2-one Chemical name
1,2-Propylene Carbonate Alternative name
C4H6O3 Chemical formula

QUALITY AND CERTIFICATION SUMMARY

Certificate / Standard Status
ISO 9001:2015 Certified manufacturing sites
REACH (EC 1907/2006) Registered and compliant
FDA 21 CFR Approved for use
GHS Xi - Irritant (R36)
Halal Available upon request
Kosher Available upon request
Vegan Suitable

Disclaimer: This Technical Data Sheet provides typical values for reference purposes only. All values are based on standard laboratory measurements and do not constitute a binding specification. For binding properties, please request the Certificate of Analysis (COA) for each specific batch. The user is solely responsible for determining product suitability for their intended application and for compliance with all applicable regulations. Safety Data Sheet (SDS) must be requested from the supplier before use.

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