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Allyl hexanoate

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Identification
Molecular formula
C9H16O2
CAS number
123-68-2
IUPAC name
allyl hexanoate
State
State

Allyl hexanoate is a liquid at room temperature.

Melting point (Celsius)
-78.00
Melting point (Kelvin)
195.15
Boiling point (Celsius)
186.00
Boiling point (Kelvin)
459.15
General information
Molecular weight
142.21g/mol
Molar mass
142.2110g/mol
Density
0.8784g/cm3
Appearence

Allyl hexanoate is a colorless to pale yellow liquid. It has a characteristic fruity aroma, often described as pineapple-like, and is commonly used in flavorings and fragrances.

Comment on solubility

Solubility of Allyl Hexanoate

Allyl hexanoate, with the chemical formula C9H16O2, exhibits unique solubility characteristics that are significant in various applications. Here are the key points regarding its solubility:

  • Solvent Compatibility: Allyl hexanoate is generally soluble in organic solvents such as ethanol, acetone, and dichloromethane. This solubility is a result of its ester functional group, which facilitates interactions with polar solvents.
  • Water Solubility: In terms of water solubility, allyl hexanoate is considered to have low solubility. It does not mix well with water, mainly due to its hydrophobic hydrocarbon chain which limits its interactions with water molecules.
  • Boiling Point Influence: The relatively low boiling point of allyl hexanoate can contribute to its solubility profile, allowing it to disperse readily in common organic solvents while remaining less soluble in polar environments.
  • Application Reminders: When working with allyl hexanoate, it is essential to consider its solubility properties, especially in formulations where the choice of solvent can impact the final product's characteristics and performance.

In summary, while allyl hexanoate shows a favorable solubility in organic solvents, it remains insoluble in water due to its structural features. Understanding these solubility dynamics is crucial for chemists utilizing this compound in various chemical processes.

Interesting facts

Interesting Facts about Allyl Hexanoate

Allyl hexanoate is a fascinating compound that belongs to the category of esters. Esters are known for their fruity aromas and are widely used in the food and fragrance industries. Here are some intriguing aspects of allyl hexanoate:

  • Fruity Aroma: This compound is celebrated for its distinctive apple-like scent, making it a popular choice in the formulation of flavorings and perfumes.
  • Natural Occurrence: Allyl hexanoate can be found in nature, particularly in the fat of certain fruits. Its presence contributes to the characteristic flavors of those fruits.
  • Synthesis: Chemically, it is synthesized through the reaction of hexanoic acid with allyl alcohol. This process highlights the beauty of organic chemistry in creating complex molecules from simpler ones.
  • Applications: Beyond the food and fragrance industries, allyl hexanoate is also explored in cosmetics and pharmaceuticals for its pleasant aroma and potential therapeutic properties.

In learning about allyl hexanoate, one can appreciate the role of esters in creating enjoyable sensory experiences, whether through their delightful scents or contributing to the flavors we love in our food. As noted by chemist and flavor expert Dave Arnold, “Esters are the keys to understanding flavor profiles.”

Overall, allyl hexanoate is not just a chemical compound but a bridge that connects the fields of chemistry, culinary arts, and perfumery, showcasing the interdisciplinary nature of scientific study.

Synonyms
Allyl hexanoate
123-68-2
Allyl caproate
Hexanoic acid, allyl ester
prop-2-enyl hexanoate
FEMA No. 2032
3VH84A363D
NSC-20962
DTXSID1047653
RefChem:110871
DTXCID9027653
204-642-4
Hexanoic acid, 2-propenyl ester
2-PROPENYL HEXANOATE
2-Propenyl n-hexanoate
Hexanoic acid, 2-propen-1-yl ester
Allyl n-caproate
Allylester kyseliny kapronove
AllOCOPen
Allyl n-hexanoate
MFCD00038339
prop-2-en-1-yl hexanoate
allylhexanoate
Allyl hexanoate (natural)
CCRIS 6549
EINECS 204-642-4
NSC 20962
Allylester kyseliny kapronove [Czech]
BRN 1761920
Allyl hexylate
UNII-3VH84A363D
AI3-02950
Hexanoic Acid Allyl Ester
EC 204-642-4
SCHEMBL21086
4-02-00-00924 (Beilstein Handbook Reference)
ALLYL HEXANOATE [FCC]
WLN: 5VO2U1
ALLYL HEXANOATE [FHFI]
SCHEMBL1619505
SCHEMBL1619506
CHEMBL2229585
FEMA 2032
CHEBI:171771
AAA12368
NSC20962
Allyl hexanoate, analytical standard
LMFA07010747
MSK014068
AKOS015907976
Allyl hexanoate, >=98%, FCC, FG
CS-W014336
AS-75459
DB-062176
A2179
NS00005721
Allyl hexanoate, natural, >=98%, FCC, FG
A50641
F240754
Q3270746
InChI=1/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H