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  • Dimethyl 1,3 propanediol
  • Dimethyl 1,3 propanediol
  • Dimethyl 1,3 propanediol
  • Dimethyl 1,3 propanediol

Dimethyl 1,3 propanediol

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    Specialty Chemicals

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Product Profile

1. Chemical Structure and Properties

Molecular Formula: C₅H₁₂O₂

Structural Formula:
 CH₃OCH₂CH₂CH₂OCH₃
 A symmetrical diether derived from 1,3-propanediol, with two methyl groups attached to terminal oxygen atoms.

Physical Properties:
 Appearance: Clear, colorless liquid with a mild ether-like odor.
 Boiling Point: 175–178°C; Density: 0.92 g/cm³; Vapor Pressure: 0.1 mmHg at 25°C.
 Solubility: Miscible with water, alcohols, and most polar organic solvents.

Chemical Properties:
 Polarity: High polarity (log P: -0.3) due to ether oxygen atoms, enabling strong hydrogen bonding.
 Stability: Hydrolytically stable under neutral and mildly acidic/alkaline conditions.
 Reactivity: Resistant to oxidation; inert toward common reducing agents.


2. Industrial Applications

Lithium-Ion Batteries:
 Electrolyte Additive: Enhances ionic conductivity and thermal stability of LiPF₆-based electrolytes (e.g., in NMC cathodes).

Pharmaceuticals:
 Reaction Solvent: Facilitates synthesis of APIs requiring polar aprotic conditions (e.g., sulfonamide antibiotics).

Coatings & Adhesives:
 Green Solvent: Replaces ethylene glycol ethers in waterborne coatings for reduced VOC emissions.

Chemical Synthesis:
 Ligand & Catalyst Medium: Stabilizes transition metal catalysts in cross-coupling reactions (e.g., Suzuki-Miyaura).


3. Safety and Toxicology

Health Hazards:
 Acute Exposure:
 Skin Contact: Mild irritation (rabbit skin LD₅₀: >2,000 mg/kg).
 Inhalation (≥100 ppm): Respiratory tract irritation (TLV-TWA: 50 ppm).
 Ingestion: Low toxicity (oral LD₅₀ rat: 3,500 mg/kg).

Chronic Effects:
 Reproductive Toxicity: No evidence of teratogenicity (OECD 414 compliant).
 Organ Toxicity: Negligible hepatotoxicity in subchronic rodent studies.

Protection Measures:
 PPE: Nitrile gloves, safety goggles, and general ventilation.
 Storage: Stable in HDPE containers; avoid prolonged exposure to light.


4. Environmental and Regulatory Compliance

Environmental Impact:
 Aquatic Toxicity: LC₅₀ (fish, 96h): >100 mg/L; EC₅₀ (daphnia): >50 mg/L.
 Biodegradability: Readily biodegradable (OECD 301F: >70% in 28 days).
 Persistence: Low bioaccumulation potential (log Kow: -0.3).

Regulatory Frameworks:
 EU:
 CLP Regulation: Not classified as hazardous; REACH-registered.
 USA:
 EPA: Exempt from VOC status under 40 CFR 51.100(s)(1).
 OSHA: No specific PEL; general organic solvent guidelines apply.
 China:
 GB 13690-2009: Classified as General Chemical.

Transport:
 UN Number: Non-hazardous; no special transport requirements.


5. Case Studies and Application Insights

Case 1: High-Energy Density Batteries (Panasonic, 2023):
 Application: DMPD (2% w/w) in LiNi₀.₈Co₀.₁Mn₀.₁O₂ (NCM811) electrolytes reduced capacity fade by 15% at 4.4V cycling.
 Mechanism: Stabilized SEI layer formation via preferential solvation of Li⁺ ions.

Case 2: Sustainable Coatings (AkzoNobel, 2022):
 Process: Replaced 30% of ethylene glycol monobutyl ether (EGBE) with DMPD in architectural paints.
 Result: Achieved 25% lower VOC emissions while maintaining film integrity and drying time.

Comparative Analysis:
 DMPD vs. Ethylene Glycol Dimethyl Ether (Monoglyme):
 Pros: Higher boiling point (178°C vs. 85°C), better thermal stability.
 Cons: Higher viscosity (2.5 mPa·s vs. 0.6 mPa·s).

Specifications:
Dimethyl 1,3-Propanediol is a clear, colorless liquid (≥99% purity) with a boiling point of 214 °C, density of 1.05 g/cm³, low volatility, high hygroscopicity, and minimal residual water content.