Sigma-Aldrich 1,3-Butanediol for synthesis

1,3-Butanediol is a versatile diol compound widely used in chemical synthesis, material science, and biochemical applications. Known for its high purity and miscibility, it is a key reagent for deep eutectic solvent (DES) formation and polymer synthesis.

Chemical and Physical Properties

Physical Characteristics

Safety and Toxicity

Molecular Structure

• SMILES String: CC(O)CCO
• InChI: 1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
• InChI Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N

Applications

1. Process Design and Deep Eutectic Solvents (DES):
   • Used as a hydrogen bond donor (HBD) in DES formation.
   • Enhances efficiency in pretreatment processes for biomass, such as nanocellulose production (e.g., palm bunch pretreatment studies).
2. Biochemical Synthesis:
   • Precursor in polymer and resin production.
   • Utilized in the preparation of bio-based materials.
3. Thermal Stability Studies:
   • Applied in formulations requiring thermal and pH stability, such as emulsions and dispersions.
4. Material Science:
   • Plays a role in the synthesis of polyurethanes and other specialty materials.
5. Industrial Solvent:
   • Excellent miscibility makes it ideal for aqueous and organic solvent systems.

Key Benefits

Storage and Handling

• Storage Temperature: 2–30 °C.
• Precautions: Handle with appropriate personal protective equipment. Avoid inhalation and skin contact.
• Disposal: Dispose of in accordance with local, regional, and national regulations.

Analysis Notes

• Assay (GC): ≥ 99.0%.
• Density: 1.003–1.005 g/mL at 20 °C.
• Water Content (K.F.): ≤ 0.50%.
• Identity (IR): Passes test.

References

1. Sonyeam et al. (2024): Process optimization for DES pretreatment of palm bunches for nanocellulose production.
2. Application in solvent systems and material science.

Sigma-Aldrich 1,3-Butanediol for synthesis is a high-quality diol offering unmatched versatility and performance for chemical synthesis, materials science, and biochemical applications.