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Isobutyl heptanoate

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Identification
Molecular formula
C11H22O2
CAS number
589-68-4
IUPAC name
isobutyl heptanoate
State
State

Isobutyl heptanoate is in a liquid state at room temperature (approximately 25°C or 77°F).

Melting point (Celsius)
-82.00
Melting point (Kelvin)
191.15
Boiling point (Celsius)
208.00
Boiling point (Kelvin)
481.15
General information
Molecular weight
186.29g/mol
Molar mass
186.2940g/mol
Density
0.8615g/cm3
Appearence

Isobutyl heptanoate appears as a colorless liquid with a fruity odor. It is typically used as a flavoring agent and in fragrance compositions.

Comment on solubility

Solubility of Isobutyl Heptanoate

Isobutyl heptanoate, with the chemical formula C11H22O2, exhibits distinctive solubility characteristics that are important for various applications. Understanding its solubility can be summarized by considering the following aspects:

  • Solvent Type: Isobutyl heptanoate is generally soluble in organic solvents such as ethanol and ether due to its non-polar nature. This characteristic makes it a suitable candidate for formulations in the fragrance and flavor industry.
  • Water Solubility: Conversely, isobutyl heptanoate is insoluble in water. This is primarily because of the long hydrophobic carbon chain, which hinders interactions with polar water molecules.
  • Temperature Influence: Solubility may vary with temperature; typically, an increase in temperature can enhance the solubility of organic compounds in organic solvents.
  • Applications: The insolubility in water highlights its utility in applications where separation from aqueous phases is required, such as in emulsions and extraction processes.

In summary, the solubility of isobutyl heptanoate is dictated by its molecular structure and the nature of the solvent. Remember, "Like dissolves like" is a key principle when predicting solubility behaviors, emphasizing that non-polar solvents will be more effective in dissolving this compound compared to polar solvents like water.

Interesting facts

Isobutyl Heptanoate: A Closer Look

Isobutyl heptanoate is a fascinating ester that belongs to the family of fatty acid esters. It is formed through the reaction of isobutanol and heptanoic acid, a reaction that is not only interesting from a synthetic perspective but also crucial in various applications. Here are some intriguing facts about this compound:

  • Flavor and Aroma: Isobutyl heptanoate is well-known for its fruity and floral aroma, similar to that of ripe apples or almonds. This makes it a popular ingredient in the food and fragrance industries, where it is used to enhance flavors and scents.
  • Food Industry Applications: Due to its pleasant taste and aroma, this compound often finds its way into artificial flavorings for beverages, desserts, and candy, providing an appealing sensory experience.
  • Natural Occurrence: Interestingly, isobutyl heptanoate is not just a synthetic molecule. It can also be found naturally in small quantities in some fruits and essential oils, making it a part of the complex mixtures that create various natural aromas.
  • Industrial Significance: Beyond its applications in flavorings and fragrances, isobutyl heptanoate has significance in the production of certain plastics and as a solvent, showcasing its versatility across different industries.
  • Synthesis Insight: The synthesis of isobutyl heptanoate serves as an excellent example of esterification, a fundamental reaction in organic chemistry. It can be conducted under various conditions, including acid-catalyzed methods, making it a valuable experiment in educational settings.

This compound not only represents a critical aspect of organic chemistry but also highlights the connections between chemical synthesis and real-world applications in flavors and materials. As a budding chemist, one can appreciate the intricate balance between structure, function, and sensory experience that compounds like isobutyl heptanoate contribute to our everyday lives.

Synonyms
Isobutyl heptanoate
7779-80-8
2-Methylpropyl heptanoate
Heptanoic acid, 2-methylpropyl ester
Isobutyl heptylate
Isobutyl heptoate
HEPTANOIC ACID, ISOBUTYL ESTER
2-Methyl-1-propyl heptanoate
FEMA No. 2200
LJS6KH0B8M
EINECS 231-940-1
BRN 1760201
AI3-33578
DTXSID8064806
ISOBUTYL HEPTANOATE [FHFI]
1-02-00-00145 (Beilstein Handbook Reference)
ISOBUTYL HEPTANOATE [USP-RS]
ISOBUTYL HEPTANOATE (USP-RS)
DTXCID5048005
231-940-1
FEMA 2200
Isobutyl enanthate
Heptanoic acid isobutyl ester
iso-Butyl n-heptanoate
UNII-LJS6KH0B8M
starbld0009578
Fema2200
SCHEMBL128511
CHEBI:179375
Heptanoic acid 2-methylpropyl ester
Heptanoic acid,2-methylpropyl ester
LMFA07010917
MFCD00129707
AKOS006239992
BS-49039
DB-243575
CS-0455651
NS00012678
E79265
Q27283032