Procurement Report: Diacetone Alcohol (CAS 123-42-2)

Product Category: Industrial Solvent / Chemical Intermediate Primary CAS Number: 123-42-2 Molecular Formula: C₆H₁₂O₂ Molecular Weight: 116.16 g/mol

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1. Technical Specifications and Performance Metrics

Diacetone alcohol (4-hydroxy-4-methyl-2-pentanone) is a versatile, high-boiling solvent characterized by its dual functionality as both a ketone and an alcohol. Its technical profile makes it ideal for applications requiring high solvency power combined with slow evaporation rates.

• Physical Properties:
  • Boiling Point: Typically ranges between 166°C and 168°C (331°F - 334°F), significantly higher than acetone or methyl ethyl ketone (MEK), allowing for extended drying times in coating applications.
  • Flash Point: Classified as a flammable liquid with a flash point generally between 56°C and 60°C (133°F - 140°F).
  • Density: Approximately 0.94 g/cm³ at 20°C.
  • Solubility: Miscible with water and most common organic solvents (alcohols, esters, ketones).
• Purity Standards:
  • Typical B2B Purity: 99.0% to 99.5% minimum for industrial grades.
  • Residual Acetone: Usually < 0.5% (critical for polymerization stability).
  • Water Content: Typically < 0.5% for anhydrous grades; higher tolerance (up to 1-2%) for general industrial grades.
• Performance Metrics:
  • Evaporation Rate: Slower than acetone (approx. 0.1 relative to butyl acetate = 1), reducing "blushing" in lacquers.
  • Stability: Stable under standard storage conditions but may undergo condensation to mesityl oxide at elevated temperatures or in the presence of strong acids/bases.

Procurement Recommendation: When sourcing, prioritize suppliers who provide a Certificate of Analysis (COA) verifying the boiling point range and water content. For applications involving sensitive polymer resins, specify a purity grade of ≥99.5% to prevent unwanted side reactions. Ensure the supplier can guarantee a moisture content < 0.5% if the application requires anhydrous conditions.

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2. Industry Compliance and Quality Assurance

Diacetone alcohol is a regulated chemical due to its flammability and potential health impacts. Compliance is non-negotiable for B2B procurement.

• Transportation Regulations:
  • DOT Classification: Class 3 (Flammable Liquid).
  • UN Number: UN1148.
  • Packing Group: PG III (Low danger).
  • Shipping Name: Diacetone alcohol.
• Safety Documentation:
  • Safety Data Sheet (SDS): Must be available in the latest revision (typically GHS compliant).
  • Certificate of Analysis (COA): Essential for batch verification.
• Quality Assurance Protocols:
  • Suppliers should adhere to ISO 9001 standards for chemical manufacturing.
  • Batch-to-batch consistency is critical; look for suppliers who offer COA traceability for every shipment.
  • Autoship Availability: Note that for certain vendors, this product may not be available for automated recurring orders, requiring manual quote requests or credit account setup for streamlined procurement.

Procurement Recommendation: Verify that the supplier explicitly lists UN1148 and PG III on their shipping documentation to ensure regulatory compliance during transit. Request the SDS and COA prior to placing the first order. If your organization requires tax-exempt purchasing or credit terms, establish a Business Account with the vendor to access these financial tools, as standard retail checkout may not support these features.

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3. Cost Efficiency and Integration Capabilities

While specific pricing fluctuates based on crude oil derivatives and regional demand, Diacetone Alcohol is generally positioned as a cost-effective alternative to specialized high-boiling solvents.

• Cost Structure:
  • Typical B2B Price Range: $4.00 – $8.00 per kg (wholesale) depending on volume and purity.
  • Packaging Options: Available in 25kg drums, 200L drums, and IBC totes. Bulk IBC purchases typically offer a 15-25% cost reduction compared to smaller drum sizes.
  • MOQ (Minimum Order Quantity): Often starts at 1 drum (25kg) for standard orders, with significant discounts for pallet loads or IBC totes.
• Integration Capabilities:
  • Logistics: Compatible with standard chemical logistics networks; however, due to being a Class 3 flammable liquid, it requires specialized hazmat transport.
  • Supply Chain: Lead times typically range from 5 to 10 business days for domestic shipments. International shipments may require 15-25 days.
  • Inventory Management: Long shelf life (24+ months) if stored in sealed containers away from light and heat.

Procurement Recommendation: To maximize cost efficiency, consolidate orders to utilize IBC tote or palletized drum shipping, which reduces per-unit logistics costs. If your volume is consistent, negotiate a credit account to streamline the purchasing process and potentially access volume-based tiered pricing. Always request a custom quote rather than relying on list prices, as B2B chemical pricing is highly dynamic.

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4. Typical Use Cases

Diacetone alcohol serves as a critical intermediate and solvent across multiple industries due to its unique solvency and reactivity profile.

• Coatings and Paints:
  • Used as a retarder solvent in lacquers and varnishes to prevent "blushing" and ensure smooth film formation.
  • Applications: Automotive clear coats, industrial enamel paints.
• Pharmaceuticals and Agrochemicals:
  • Serves as a reaction intermediate for the synthesis of antibiotics, vitamins, and pesticides.
  • Used as a solvent in extraction processes.
• Plastics and Polymers:
  • Solvent for cellulose acetate, vinyl resins, and nitrocellulose.
  • Used in the production of synthetic resins.
• Chemical Synthesis:
  • Precursor for the production of Mesityl Oxide, Mesitylene, and Diacetone Acetate.
  • Used in the synthesis of isophorone.

Procurement Recommendation: Align your procurement specifications with the end-use application. For pharmaceutical synthesis, demand USP/EP grade or equivalent high-purity specifications. For industrial coatings, standard industrial grade (99%+) is usually sufficient. Ensure the supplier has experience supplying your specific industry sector to guarantee consistent batch quality.

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5. Long-Term Planning Considerations

The market for Diacetone Alcohol is influenced by the broader petrochemical cycle and environmental regulations.

• Market Trends:
  • Demand Signals: Steady demand in the coatings industry, driven by the shift toward high-performance, low-VOC (Volatile Organic Compound) formulations where high-boiling solvents are preferred.
  • Supply Chain Risks: Dependence on acetone feedstock availability; price volatility is linked to propylene and cumene production cycles.
  • Regulatory Shifts: Increasing scrutiny on flammable solvents may drive demand for water-based alternatives, though Diacetone Alcohol remains a key component in hybrid systems.
• Sustainability:
  • Consider the carbon footprint of the supply chain.
  • Evaluate suppliers who utilize green chemistry practices in their synthesis processes.
• Inventory Strategy:
  • Maintain a safety stock of 3-4 months due to potential supply chain disruptions in the chemical sector.
  • Monitor lead times closely, as hazmat shipping constraints can cause delays.

Procurement Recommendation: Develop a multi-sourcing strategy to mitigate supply chain risks. Do not rely on a single supplier for critical production runs. Engage with suppliers early to forecast demand and secure long-term pricing agreements if possible. Monitor petrochemical market reports for acetone price trends to anticipate cost fluctuations in Diacetone Alcohol.

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6. Special Product Recommendations

The following table compares Diacetone Alcohol with related solvents and intermediates to assist in selecting the right product for specific procurement needs.

Procurement Recommendation: If your application requires a retarder (slow drying), Diacetone Alcohol is the superior choice over Acetone or MEK. If you require a co-solvent for resin systems, consider Diacetone Acetate as a complementary product. Always verify the Packing Group (PG) and UN Number on the shipping manifest to ensure your logistics partners are equipped to handle the specific hazard class.

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7. Frequently Asked Questions (FAQ)

Q1: Is Diacetone Alcohol available for automated recurring orders (Autoship)? A: Availability varies by supplier. Some vendors, such as Lab Alley, currently do not support Autoship for this specific item and require manual quote requests or business account setup for streamlined purchasing.

Q2: What are the shipping restrictions for Diacetone Alcohol? A: It is classified as a Class 3 Flammable Liquid (UN1148, PG III). It cannot be shipped via standard air freight or certain ground carriers without hazmat certification. Ground transport is the most common method for domestic delivery.

Q3: Can I purchase Diacetone Alcohol without a business account? A: Yes, but purchasing as a business account holder unlocks benefits such as custom quotes, credit applications, tax exemptions, and fulfillment support, which are essential for B2B procurement efficiency.

Q4: What is the typical shelf life of Diacetone Alcohol? A: When stored in tightly sealed containers away from direct sunlight and heat sources, the shelf life is typically 24 months. However, it may degrade over time if exposed to acidic or basic conditions.

Q5: Do you provide Safety Data Sheets (SDS) and Certificates of Analysis (COA)? A: Yes, reputable suppliers provide both documents upon request. These are critical for regulatory compliance and quality assurance. Specific batch COAs (e.g., 251205-2A) are often available for traceability.

Q6: What is the Minimum Order Quantity (MOQ)? A: Typical MOQs start at 1 drum (25kg) for standard industrial orders. Larger volumes (pallets or IBC totes) are often available with reduced per-unit pricing.

Q7: How does Diacetone Alcohol compare to Acetone in terms of evaporation rate? A: Diacetone Alcohol has a significantly slower evaporation rate (higher boiling point of ~167°C vs. ~56°C for acetone), making it ideal for preventing "blushing" in lacquers and allowing for better leveling in coatings.

Q8: Is Diacetone Alcohol considered a hazardous material for storage? A: Yes. It is flammable and requires storage in a flammable liquid cabinet or a dedicated hazardous materials storage area, adhering to local fire codes and OSHA regulations.