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Isobutyl butyrate

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Identification
Molecular formula
C8H16O2
CAS number
539-90-2
IUPAC name
isobutyl butanoate
State
State

At room temperature, isobutyl butyrate is a liquid. It is known for its volatile nature, which contributes to its use in flavorings and fragrances.

Melting point (Celsius)
-85.00
Melting point (Kelvin)
188.15
Boiling point (Celsius)
154.00
Boiling point (Kelvin)
427.15
General information
Molecular weight
144.21g/mol
Molar mass
144.2110g/mol
Density
0.8668g/cm3
Appearence

Isobutyl butyrate is a colorless liquid with a fruity odor. It has a pleasant and ethereal fragrance, which is described as sweet and similar to apple or strawberry.

Comment on solubility

Solubility of Isobutyl Butanoate

Isobutyl butanoate, with the chemical formula C6H12O2, exhibits unique solubility characteristics that are vital for its applications in various fields such as flavors and fragrances. In general, the solubility behavior of this compound can be summarized as follows:

  • Organic Solvents: Isobutyl butanoate is highly soluble in common organic solvents such as ethanol, methanol, and acetone. This high solubility allows it to be easily incorporated into formulations.
  • Water: The solubility of isobutyl butanoate in water is quite limited. Its hydrophobic nature, resulting from the long hydrocarbon chain, contributes to its solubility challenges in aqueous solutions.
  • Temperature Dependency: Like many organic compounds, solubility can increase with temperature. Heating isobutyl butanoate may improve its solubility in certain solvents.

Overall, this compound is considered to be more soluble in non-polar and moderately polar solvents, while showing limited solubility in water. Understanding these solubility properties is essential for effective application and manipulation in various chemical processes.

Interesting facts

Facts About Isobutyl Butanoate

Isobutyl butanoate is a fascinating compound belonging to the family of esters. It is well-known in various applications, particularly in the flavor and fragrance industries, owing to its pleasant fruity aroma often described as reminiscent of apricots or pineapple.

Key Characteristics:

  • Aromatic Properties: The compound is prized for its ability to impart fruity notes in food and beverage formulations.
  • Flavor Profile: Often used in flavoring agents, isobutyl butanoate brings a touch of sweetness that enhances the overall taste experience.
  • Fragrance Component: It is also commonly found in perfumes and cosmetic products, contributing to their sensory appeal.

Chemical Insights:

From a scientific perspective, isobutyl butanoate is synthesized through the esterification process, where an alcohol reacts with a carboxylic acid. This reaction generates not only the ester but also water as a byproduct. The reaction highlights the importance of catalysts and temperature control in yielding the desired product effectively.

Applications Beyond Flavors:

Besides its use in flavors and fragrances, isobutyl butanoate is notable in other fields:

  • Solvent Properties: It serves as a solvent in various chemical reactions and processes.
  • Plasticizer: In polymer science, this compound can act as a plasticizer, improving the flexibility and workability of materials.
  • Research and Development: As scientists explore new applications, isobutyl butanoate continues to be a compound of interest in organic synthesis and formulation chemistry.

In conclusion, the allure of isobutyl butanoate goes beyond its aromatic characteristics; its versatility makes it a valuable compound in both industrial and laboratory settings. As the study of esters continues, further discoveries could reveal even more exciting applications for this compound, enhancing our understanding of chemistry and its practical applications.

Synonyms
Isobutyl butyrate
539-90-2
2-Methylpropyl butanoate
Isobutyl n-butyrate
Butanoic acid, 2-methylpropyl ester
Isobutyl butyrate (natural)
EINECS 208-729-8
UNII-827NDQ0P0W
BRN 1747322
827NDQ0P0W
iso-Butyl n-butyrate
AI3-11267
NSC-406938
ISOBUTYL BUTYRATE [FCC]
DTXSID8047557
CHEBI:87683
FEMA 2187
ISOBUTYL N-BUTYRATE [MI]
Isobutyl butanoic acid
Isobutyl N-butyric acid
Butyrate, isobutyl ester
Butanoate, isobutyl ester
2-Methylpropyl butyric acid
2-Methylpropyl butanoic acid
Butanoate, methyl propyl ester
Butanoate, 2-methylpropyl ester
2-Methyl-1-propyl butyric acid
DTXCID6027557
208-729-8
4-02-00-00790 (beilstein handbook reference)
inchi=1/c6h10n2o/c1-2-5-3-6(4-9)8-7-5/h3,9h,2,4h2,1h3,(h,7,8
inchi=1/c8h16o2/c1-4-5-8(9)10-6-7(2)3/h7h,4-6h2,1-3h
rgfnrwtwdwvhdd-uhfffaoysa-n
Isobutyl butanoate
2-Methylpropyl butyrate
Isobutyl-n-butyrate
BUTYRIC ACID, ISOBUTYL ESTER
Butanoic acid, isobutyl ester
2-Methyl-1-propyl butyrate
n-Butyric acid isobutyl ester
FEMA No. 2187
Butyric Acid Isobutyl Ester
NSC 406938
Isobutyl ester of butanoic acid
Butanoic acid, methyl propyl ester
isobutylbutyrate
Isobutylbutyrat
MFCD00027134
SCHEMBL126524
CHEMBL4648429
WLN: 3VO1Y1&1
butyric acid 2-methyl-propyl ester
LMFA07010728
NSC406938
STL280532
Isobutyl butyrate, analytical standard
AKOS015965026
Isobutyl butyrate, >=98%, FCC, FG
LS-13512
B0761
NS00012674
F87459
Isobutyl butyrate, natural, >=98%, FCC, FG
Q26840842