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Isobutyl butyrate(CAS: 539-90-2)

Isobutyl butyrate
CAS Number

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Basic Information

Molecular Formula
C8H16O2
Molecular Weight
144.21 g/mol

Physical Properties

Melting Point
-88.07°C (estimate)
Boiling Point
157°C

Chemical Identifiers

SMILES
CCCC(=O)OCC(C)C
InChIKey
RGFNRWTWDWVHDD-UHFFFAOYSA-N

Database References

MDL Number
MFCD00027134

FAQ

Isobutyl butyrate (CAS: 539-90-2) is a clear, colorless to light yellow liquid with a fruity odor. It has a molecular weight of approximately 154.23 g/mol. It is slightly soluble in water but miscible with most organic solvents. Isobutyl butyrate is relatively stable but can react with strong acids and bases. It is used as a food flavoring agent and in perfumes.
Isobutyl butyrate (CAS: 539-90-2) is typically synthesized through a Fischer esterification reaction between isobutanol and butyric acid. The reaction is usually catalyzed by an acid, such as sulfuric acid, and the mixture is heated. The process yields a product that is then purified by distillation. The reaction is selective and provides a high yield of the desired ester.
Isobutyl butyrate (CAS: 539-90-2) is widely used in the food and beverage industry as a flavoring agent, particularly for fruits and confectionery. It is also used in the perfume and fragrance industry for its fruity aroma. Additionally, it is used in some pharmaceutical applications for flavoring oral medications and in the polymer industry as a plasticizer.
When handling Isobutyl butyrate (CAS: 539-90-2), proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. This compound should be stored in a tightly sealed container in a cool, well-ventilated area, away from direct sunlight and heat. It is flammable and should not be exposed to open flames or sparks. In case of a spill, it should be handled carefully, and appropriate cleanup procedures should be followed as outlined in the Safety Data Sheet (SDS).

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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