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Isobutyl 3-methylbutanoate(CAS: 589-59-3)

Isobutyl 3-methylbutanoate
CAS Number

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Basic Information

Molecular Formula
C9H18O2
Molecular Weight
158.24 g/mol

Physical Properties

Melting Point
-92.8°C (estimate)
Boiling Point
168°C
Flash Point
57 °C

Chemical Identifiers

SMILES
CC(C)CC(OCC(C)C)=O
InChIKey
KEBDNKNVCHQIJU-UHFFFAOYSA-N

Database References

MDL Number
MFCD00048349

FAQ

Isobutyl 3-methylbutanoate is a colorless liquid with a fruity odor. Its molecular weight is approximately 154.26 g/mol. This compound is slightly soluble in water but miscible with most organic solvents. It is reactive towards bases and can undergo hydrolysis under basic conditions. The compound is stable under normal storage conditions but should be stored away from direct sunlight and heat sources.
Isobutyl 3-methylbutanoate can be synthesized via an esterification reaction between 3-methylbutanoic acid and isobutanol in the presence of a strong acid catalyst, such as concentrated sulfuric acid. The reaction is carried out under mild conditions, and the product is usually purified using standard techniques like distillation and recrystallization.
Isobutyl 3-methylbutanoate is primarily used in the fragrance and flavor industry due to its pleasant fruity aroma. It is also utilized in the chemical industry for the synthesis of other compounds and in the pharmaceutical industry as a flavoring agent or intermediate. Additionally, it can be used in the food industry as a food additive.
Isobutyl 3-methylbutanoate should be handled in a well-ventilated area and with proper personal protective equipment (PPE), including gloves and goggles. It is recommended to use a fume hood during handling. In case of a spill, it should be cleaned up using absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information and follow all relevant safety guidelines.

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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