3-Acetyl-1-propanol, also known as 5-hydroxy-2-pentanone, is a versatile hydroxy ketone compound that functions as a key intermediate in pharmaceutical synthesis and a solvent in industrial formulations. With the chemical formula C₅H₁₀O₂, it is a clear, colorless to light yellow liquid with a mild, characteristic odor. The dual hydroxyl and carbonyl groups provide excellent reactivity for further derivatization, making it suitable for applications requiring solubility in both aqueous and organic media. This compound supports efficient processes in drug development and specialty chemicals, offering stability and compatibility in multi-step reactions.

CAS Number: 1071-73-4 Molecular Weight: 102.13 g/mol Synonyms: 5-Hydroxy-2-pentanone, 5-Hydroxypentan-2-one, Acetylpropanol

Key Properties

It exhibits reliable physical and chemical attributes that enhance its utility in synthetic and solvent roles. The table below summarizes essential specifications:

Property Value/Description
Appearance Clear, colorless to light yellow liquid
Purity ≥96.0% (titration)
Density (25°C) 1.007 g/mL
Boiling Point 144-145°C (100 mmHg)
Melting Point ≈2.5°C
Flash Point 93°C
Refractive Index (20°C) 1.437
Solubility in Water Soluble (miscible in organics)
Molecular Formula C₅H₁₀O₂

These properties ensure its fluidity at ambient temperatures and broad solvency, ideal for liquid-phase reactions and formulations.

Applications and Uses

The bifunctional nature of 3-acetyl-1-propanol enables its incorporation into diverse chemical processes:

  • Pharmaceutical Intermediates: Serves as a precursor in the synthesis of chloroquine metabolites like didesethyl chloroquine and phosphate intermediates, supporting antimalarial drug production.
  • Solvents and Formulations: Utilized as a solvent in coatings, inks, adhesives, and paints, leveraging its polarity for effective dissolution of resins and pigments.
  • Flavor and Fragrance: Employed in creating mild aromatic profiles for food, beverage, and cosmetic products due to its subtle scent and stability.
  • Biochemical Research: Acts as a substrate for alcohol dehydrogenase enzymes in metabolic studies and as a building block for bioactive compounds.
  • Fine Chemicals: Applied in the preparation of surfactants and polymers through reactions involving the hydroxy or keto groups.

Its water solubility and low volatility contribute to eco-friendly applications in green chemistry initiatives.

Safety and Handling

It is mildly irritating to skin, eyes, and respiratory tract, with potential for allergic reactions upon prolonged exposure. It is combustible but not highly flammable under normal conditions. Key safety measures include:

  • Storage: Keep in a cool, dry, well-ventilated area (<25°C) in tightly sealed containers away from strong oxidizers and heat sources.
  • Handling: Wear protective gloves, eyewear, and clothing. Use in a fume hood to avoid inhalation; wash thoroughly after contact.
  • Environmental Impact: Biodegradable with low aquatic toxicity; dispose of via approved chemical waste methods to prevent soil or water contamination.
  • Regulatory Compliance: Complies with REACH, TSCA, and GHS standards for irritants (H315/H319: Skin/eye irritation).

Request the Safety Data Sheet (SDS) for comprehensive hazard information.

Frequently Asked Questions (FAQs)

What is the primary use of it?

3-Acetyl-1-propanol is mainly used as a pharmaceutical intermediate in the synthesis of antimalarial drugs like chloroquine derivatives, capitalizing on its keto-alcohol structure.

Is 3-Acetyl-1-propanol safe for industrial handling?

It causes mild irritation but is low-toxicity overall; standard PPE and ventilation ensure safe use, with no significant flammability risks at room temperature.

What is the shelf life of 3-Acetyl-1-propanol?

Stored sealed and cool, it maintains stability for 12-24 months, though exposure to light or air may lead to gradual oxidation—monitor for color changes.

Can 3-Acetyl-1-propanol be shipped internationally?

Yes, it is shipped globally under UN 1993 (Class 3, PG III) regulations, in glass or plastic bottles and drums for lab to bulk quantities.

How does 3-Acetyl-1-propanol compare to 4-hydroxy-2-butanone?

The propanol variant offers a longer chain for better steric control in cyclizations, while sharing similar solvency, making it preferable for extended intermediates.

Is 3-Acetyl-1-propanol water-soluble?

Yes, it is fully miscible with water and common organic solvents, facilitating biphasic extractions and homogeneous reaction mixtures.

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