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Isobutyl butyrate

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Identification
Molecular formula
C9H18O2
CAS number
539-90-2
IUPAC name
2,2-dimethylpropyl butanoate
State
State

At room temperature, isobutyl butyrate is a liquid.

Melting point (Celsius)
-85.00
Melting point (Kelvin)
188.15
Boiling point (Celsius)
148.70
Boiling point (Kelvin)
421.85
General information
Molecular weight
144.24g/mol
Molar mass
144.2120g/mol
Density
0.8624g/cm3
Appearence

Isobutyl butyrate is a colorless liquid that is characterized by its fruity odor, reminiscent of tropical fruit or berries. It is often used in the flavor industry to impart sweetness and fruitiness to products.

Comment on solubility

Solubility of 2,2-Dimethylpropyl Butanoate

2,2-Dimethylpropyl butanoate, with the chemical formula C9H18O2, is an ester compound that exhibits certain notable characteristics regarding its solubility:

  • Polar vs. Nonpolar Solubility: Being an ester, 2,2-dimethylpropyl butanoate has a moderate polarity. This affects its solubility:
    • It is soluble in organic solvents such as alcohols and ethers.
    • However, it is insoluble in water due to its larger hydrophobic hydrocarbon chain.
  • Impact of Temperature: As with many organic compounds, solubility can increase with temperature. Therefore:
    • Increasing temperature may enhance its solubility in organic solvents.
    • Conversely, solubility in water remains limited regardless of temperature increases.
  • Applications and Functional Groups: The properties of 2,2-dimethylpropyl butanoate make it suitable for various applications in:
    • Fragrance formulations, where solubility in organic solvents is advantageous.
    • Food additives and flavorings, where it needs to mix with other non-polar compounds.

In summary, while 2,2-dimethylpropyl butanoate is soluble in nonpolar solvents, it faces challenges when interacting with polar solvents like water. This solubility profile is critical for its practical applications across various industries.

Interesting facts

Interesting Facts about 2,2-Dimethylpropyl Butanoate

2,2-Dimethylpropyl butanoate, an ester, is part of a fascinating class of compounds characterized by their fruity aromas and flavors. Here are some captivating insights:

  • Flavor and Fragrance: This compound is often used in the food and cosmetics industries for its pleasant scent. It is reminiscent of fruity aromas, which makes it a popular choice in flavoring agents and perfumes.
  • Synthesis: The creation of 2,2-dimethylpropyl butanoate involves an esterification reaction between a carboxylic acid (in this case, butanoic acid) and an alcohol (2,2-dimethylpropanol). This process underscores the versatility of esters in organic chemistry.
  • Esters in Nature: Many natural esters, such as those found in fruits, share similarities with synthetic esters like 2,2-dimethylpropyl butanoate. This draws a connection between chemistry and the flavors we experience in everyday life.
  • Applications: Beyond its use in flavors and fragrances, this compound can also be found in:
    • Solvents
    • Plasticizers
    • Pharmaceuticals
  • Safety Considerations: While generally regarded as safe when used appropriately, it's always important to consider handling protocols and safety data sheets (SDS) when dealing with chemical compounds.

In summary, 2,2-dimethylpropyl butanoate is not just a simple ester; it plays a significant role in various industries, illustrating the intricate relationship between chemistry and the sensory experiences we often take for granted. Its applications in flavors and fragrances highlight the aesthetic dimension of chemical science, making it an exciting topic for both chemists and enthusiasts alike.

Synonyms
neopentyl n-butyrate
Neopentyl butyrate #
Butanoic acid, 2,2-dimethylpropyl ester
SCHEMBL517466
BLTRSYBDPNEMNK-UHFFFAOYSA-N
AKOS006281842