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Allyl octanoate

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Identification
Molecular formula
C11H20O2
CAS number
123-68-2
IUPAC name
allyl octanoate
State
State

At room temperature, allyl octanoate is a liquid. It is often used in mixtures for its pleasant aromatic properties.

Melting point (Celsius)
-66.00
Melting point (Kelvin)
207.15
Boiling point (Celsius)
206.00
Boiling point (Kelvin)
479.15
General information
Molecular weight
184.28g/mol
Molar mass
184.2830g/mol
Density
0.8718g/cm3
Appearence

Allyl octanoate is a colorless to pale yellow liquid. It has a fruity odor reminiscent of pineapple or wine, making it commonly used in flavoring and perfumery.

Comment on solubility

Solubility of Allyl Octanoate

Allyl octanoate, with the chemical formula C11H20O2, is an ester formed from the reaction of allyl alcohol and octanoic acid. Its solubility characteristics are quite interesting:

  • Polar vs. Nonpolar: Due to the long hydrophobic octyl chain, allyl octanoate exhibits a predominantly nonpolar nature. This affects its solubility in different solvents.
  • Solvent Compatibility: Allyl octanoate is soluble in organic solvents such as:
    • Ethyl acetate
    • Toluene
    • Chloroform
  • Water Insolubility: Because of its nonpolar characteristics, it is insoluble in water, which is typical for many esters with long carbon chains.

As a result, when considering its applications in various fields, it is crucial to note that allyl octanoate’s solubility in organic solvents makes it suitable for formulations requiring nonpolar environments. This solubility profile allows it to be effectively utilized in flavors and fragrances where compatibility with other organic compounds is essential.

Interesting facts

Interesting Facts about Allyl Octanoate

Allyl octanoate, a fascinating ester derived from octanoic acid and allyl alcohol, is notable for its unique characteristics and diverse applications. Here are some intriguing aspects about this compound:

  • Natural Occurrence: Allyl octanoate can be found naturally in some fruits and is associated with a fruity aroma, making it appealing in the flavor and fragrance industry.
  • Flavor Enhancer: Due to its pleasant scent, it is often used as a flavoring agent in food products, enhancing the taste experience without overpowering other flavors.
  • Fragrance Applications: This compound plays a significant role in perfumery, contributing to the complexity of fragrances and being employed in various cosmetic products.
  • Chemical Reactivity: Being an allyl ester, it exhibits interesting reactivity patterns that can be exploited in organic synthesis, particularly in forming more complex molecules.
  • Safety Profile: While generally considered safe in food and cosmetic applications, it is always essential to be mindful of its concentration and ensure proper usage to avoid potential irritation.

In summary, allyl octanoate is not just a compound of interest for chemists and students but also a significant player in the realms of food science and fragrance technology. Its delightful attributes make it a staple in synthetic organic chemistry, as well as an essential component in the production of various consumer goods.

Synonyms
Allyl octanoate
Allyl caprylate
4230-97-1
2-Propenyl octanoate
prop-2-enyl octanoate
Octanoic acid, 2-propenyl ester
Allyl octylate
2-Propenyl octylate
OCTANOIC ACID, ALLYL ESTER
Octanoic acid, 2-propen-1-yl ester
prop-2-en-1-yl octanoate
Allyl n-octanoate
FEMA No. 2037
EINECS 224-184-9
UNII-17ZH17CKME
17ZH17CKME
NSC 32645
BRN 1768774
AI3-36007
NSC-32645
ALLYL OCTANOATE [FHFI]
DTXSID9063370
3-02-00-00795 (Beilstein Handbook Reference)
DTXCID1040089
224-184-9
inchi=1/c11h20o2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4h,2-3,5-10h2,1h
pzgmusdnqdcnag-uhfffaoysa-n
AllOCOHep
Allyl n-caprylate
Allylcaprylate
FEMA 2037
Allyl octanoate, >=99%
SCHEMBL126629
WLN: 7VO2U1
CHEMBL2229586
CHEBI:172058
NSC32645
LMFA07010748
DB-003581
NS00011947
Q27251951