Agrochemicals

Methyl 3,3-dimethylpent-4-enoate (CAS No. 63721-05-1) 

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1. Basic Information

• IUPAC Name: Methyl 3,3-dimethylpent-4-enoate
• Synonyms:
  • Methyl 4-pentenoate, 3,3-dimethyl-
  • 3,3-Dimethyl-4-pentenoic acid methyl ester
• CAS Number: 63721-05-1
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.20 g/mol
• Appearance: Colorless to pale yellow liquid
• Odor: Fruity, ester-like odor

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2. Physical and Chemical Properties

Property	Value
Boiling Point	165–168°C (329–334°F)
Density	0.91–0.93 g/cm³ (20°C)
Refractive Index	1.425–1.428 (20°C)
Flash Point	50–55°C (122–131°F)
Solubility	– Water: Slightly soluble
	– Organic solvents: Miscible with ethanol, ether, acetone

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3. Hazards (GHS Classification)

• Flammability: Flammable liquid (H226)
• Health Hazards:
  • Causes skin irritation (H315)
  • Causes serious eye irritation (H319)
• Environmental: Not classified
• NFPA Rating: Health 1, Flammability 2, Reactivity 0

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4. Storage and Handling

• Storage:
  • Keep in tightly sealed containers away from heat/open flames
  • Store in a cool, well-ventilated area
• Handling:
  • Use chemical-resistant gloves (nitrile) and safety goggles
  • Ground containers during transfer

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5. Applications

• Fragrance Industry:
  • Intermediate for fruity/floral scent compounds
• Organic Synthesis:
  • Michael acceptor in conjugate additions
  • Precursor for terpene-like structures
• Polymer Chemistry:
  • Monomer for specialty acrylate polymers

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