3,3-Dimethyl-2-oxobutyric acid

Agrochemicals 2025-03-02

3,3-Dimethyl-2-oxobutyric Acid

Chemical Name: 3,3-Dimethyl-2-oxobutyric acid
Synonyms: α-Ketoisovaleric acid; 3-Methyl-2-oxobutanoic acid (Note: Verify exact isomer)
CAS Number: 759-05-7
Molecular Formula: C₆H₁₀O₃
Molecular Weight: 130.14 g/mol


Physical & Chemical Properties

Property Specification
Appearance White to off-white crystalline powder
Melting Point 37-40°C (98-104°F)
Boiling Point Decomposes (~200°C)
Density ~1.12 g/cm³ (estimated)
Solubility Soluble in water, ethanol, ether
pKa ~2.5 (carboxyl group)
Refractive Index 1.439 (20°C, for liquid form)

Hazard & Safety Information (GHS)

Warning Symbols:
⚠️ Skin/Eye Irritant (Category 2)

Hazard Codes:
• H315: Causes skin irritation
• H319: Causes serious eye irritation

Precautionary Measures:
• P264: Wash hands after handling
• P280: Wear gloves/eye protection
• P305+P351+P338: IF IN EYES: Rinse cautiously


Chemical Behavior

• Reactivity:

  • Decarboxylates at high temperatures
  • Forms enolates with bases
  • Reacts with nucleophiles (e.g., amines) to form Schiff bases
    • Stability:
  • Hygroscopic (absorbs moisture)
  • Store under inert atmosphere

Applications

✔ Biochemical Research:

  • Intermediate in valine metabolism (ketoacid)
  • Precursor for branched-chain amino acid studies
    ✔ Organic Synthesis:
  • Chiral building block
  • Pharmaceutical intermediates

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