3-Butyl-1-methylcyclopenta-1,3-diene CAS No. 184687-62-5

Uses

• Organic Synthesis Intermediate: Used to construct complex molecular frameworks or as a ligand in metal-catalyzed reactions.

• Materials Science: Can be used for polymer modification or the development of functional materials.

• Organometallic Chemistry: Serves as a precursor for cyclopentadienyl ligands in transition metal chemistry, such as in the preparation of metallocene catalysts.

Molecular Structure

• Molecular Formula: C10H16

• SMILES: CCCCC1=CCC(=C1)C

• InChI Key: OSRFUMBNIRJIKU-UHFFFAOYSA-N

• IUPAC Name: 3-Butyl-1-methylcyclopenta-1,3-diene (alternative name: 1-Butyl-3-methylcyclopenta-1,3-diene)

• Structure: The compound features a five-membered ring with conjugated double bonds at positions 1-2 and 3-4, a methyl group at position 1, and a butyl group at position 3.

Physical Properties

• Molecular Weight: 136.23 g/mol

• Physical State: Likely a colorless liquid at room temperature.

• Boiling Point: Between 40-150°C (estimated based on similar compounds).

• Density: Approximately 0.7-0.9 g/cm³ (less than water).

• Solubility: Insoluble in water, soluble in organic solvents.

Chemical Reactivity

• Reactivity: Exhibits typical reactivity of cyclopentadiene compounds, such as Diels-Alder reactions and polymerization reactions.

• Stability: May dimerize at room temperature to form dicyclopentadiene structures, but derivatives with substituents may be more stable.

Safety Information

• Hazards: Presumed to be a flammable liquid (flash point may be below 60°C). Avoid contact with oxidants and ignition sources.

• Storage: Recommended to be sealed, stored in a cool, well-ventilated area, away from heat sources and incompatible materials.

Regulatory Information

• CAS Number: 184687-62-5

• EPA TSCA Status: Active under the Toxic Substances Control Act (TSCA).

Product Documents

• Safety Data Sheet (SDS)
• Certificate of Analysis
• Product Brochure
• Technical Data Sheet