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Isopentyl octanoate

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Identification
Molecular formula
C13H26O2
CAS number
7779-67-3
IUPAC name
isopentyl octanoate
State
State
Isopentyl octanoate is a liquid at room temperature, typically observed in fluid form without any solid particles.
Melting point (Celsius)
-80.00
Melting point (Kelvin)
193.15
Boiling point (Celsius)
228.00
Boiling point (Kelvin)
501.15
General information
Molecular weight
214.35g/mol
Molar mass
214.3540g/mol
Density
0.8600g/cm3
Appearence

Isopentyl octanoate appears as a colorless to pale yellow liquid. It has a fruity odor, reminiscent of apples or bananas, which makes it useful in flavor and fragrance industries.

Comment on solubility

Solubility of Isopentyl Octanoate

Isopentyl octanoate, also known as isoamyl octanoate, is an organic compound with an interesting solubility profile that primarily depends on its molecular structure and the nature of solvents used. Here are some key considerations:

  • Polar vs Non-Polar Solvents: Isopentyl octanoate is a non-polar molecule due to its long hydrocarbon chain. It demonstrates good solubility in non-polar organic solvents, such as:
    • Hexane
    • Ether
    • Chloroform
  • Poor Solubility in Water: As a general rule, non-polar compounds like isopentyl octanoate exhibit very low solubility in water. This is attributed to the differences in polarity and the inability to form hydrogen bonds with water molecules.
  • Temperature Effects: Solubility can be affected by temperature changes. Typically, higher temperatures can increase solubility in organic solvents but have negligible effects in water.

In summary, isopentyl octanoate reflects the classic principle of “like dissolves like”, being well-soluble in non-polar environments while remaining largely insoluble in polar solvents like water. Understanding these solubility characteristics is crucial for applications in flavoring, fragrance, and other chemical industries.

Interesting facts

Interesting Facts about Isopentyl Octanoate

Isopentyl octanoate, commonly known as banana oil, is a fascinating compound that captures the essence of fruity aromas. Here are some captivating insights into this ester:

  • Natural Occurrence: This compound is commonly found in various fruits, especially bananas, where it contributes to their distinctive sweet fragrance. It exhibits a strong fruity odor reminiscent of ripe bananas.
  • Synthesis: Isopentyl octanoate is synthesized through the reaction of isopentyl alcohol with octanoic acid. This reaction is a classic example of esterification, a fundamental process in organic chemistry.
  • Flavors and Fragrances: Due to its pleasant aroma, isopentyl octanoate is widely used in the food industry as a flavoring agent. It is also a popular additive in the fragrance industry, enhancing products like perfumes and air fresheners.
  • Biodegradable Properties: Unlike some synthetic compounds, isopentyl octanoate is biodegradable, making it an environmentally friendly option for various applications.
  • Role in Biology: Interestingly, esters like isopentyl octanoate play a role in plant biology and can act as signaling molecules. This characteristic can influence pollinator behavior and plant growth.

Overall, isopentyl octanoate showcases the intersection of chemistry, nature, and industry. Its delightful scent and versatile applications make it a compound of significant interest for both scientific research and commercial use.

Synonyms
Isopentyl octanoate
Isoamyl octanoate
3-METHYLBUTYL OCTANOATE
Octanoic acid, 3-methylbutyl ester
Isoamyl caprylate
Isoamyl octanoate (natural)
EINECS 218-004-8
octanoic acid isopentyl ester
UNII-2EX40079OL
BRN 1767760
AI3-01827
2EX40079OL
WE(4:0(3Me)/8:0)
DTXSID7062114
ISOAMYL OCTANOATE [FHFI]
CHEBI:87536
FEMA 2080
OCTANOIC ACID, ISOPENTYL-ESTER
Isoamyl caprylic acid
Isoamyl octanoic acid
Isopentyl octanoic acid
Octanoate isopentyl ester
3-Methylbutyl octanoic acid
DTXCID5036268
4-02-00-00988 (beilstein handbook reference)
xkwswanxmrxdes-uhfffaoysa-n
2035-99-6
Octanoic acid, isopentyl ester
Isoamyl octylate
Isopentyl octylate
Isopentyl alcohol, octanoate
FEMA No. 2080
n-Caprylic acid isoamyl ester
iso-Amyl n-octanoate
Octanoic acid, isoamyl ester
Isoamyl n-Octanoate (contains 2-Methylbutyl n-Octanoate)
Isoamyl n-Octanoate
MFCD00048917
Isopentyl n-Octanoate
3-methylbutyloctanoate
SCHEMBL856632
n-Octanoic Acid Isoamyl Ester
CHEMBL4642968
Isoamyl octanoate, >=98%, FG
Octanoic acid,3-methylbutyl ester
CAA03599
LMFA07010682
Isoamyl octanoate, analytical standard
AKOS015899575
CS-W014922
HY-W014206
AS-61682
Isoamyl octanoate, natural, >=98%, FG
NS00012661
O0031
D91789
Q11735352