Chemical Property of Allyl hexanoate
Chemical Property:
- Appearance/Colour:clear, colorless liquid.
- Vapor Pressure:0.678mmHg at 25°C
- Melting Point:-57.45°C (estimate)
- Refractive Index:n20/D 1.424(lit.)
- Boiling Point:186 °C at 760 mmHg
- Flash Point:66.1 °C
- PSA：26.30000
- Density:0.889 g/cm3
- LogP:2.29590
- Storage Temp.:Store below +30°C.
- Solubility.:0.06g/l
- Water Solubility.:PRACTICALLY INSOLUBLE
- XLogP3:2.7
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:2
- Rotatable Bond Count:7
- Exact Mass:156.115029749
- Heavy Atom Count:11
- Complexity:119
- Purity/Quality:
-
99% *data from raw suppliers
Allyl hexanoate
*data from reagent suppliers
Safty Information:
- Pictogram(s):
T,
N
- Hazard Codes:T,N
- Statements:
22-24-51/53-R51/53-R24-R22
- Safety Statements:
36/37-45-61-S61-S45-S36/37
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCCCCC(=O)OCC=C
-
Uses
1. Allyl hexanoate is Used for the preparation of pineapple and other fruit flavors.2. China provides that allyl hexanoate is the spices temporally allowed to use, which is commonly used in the modulation of food spices and tobacco spices with the flavor of strawberry, apricot, peach, sweet orange, pineapple, apple and other fruit. The use amount of allyl hexanoate is according to the normal production needs, such as 210 mg/kg in chewing gum, 32mg/kg in confectionery, 25 mg/kg in baked goods and 11 mg/kg in cold drinks.3. Allyl caproate finds use in perfumes as a part of fruity top notes in combination with green mossy notes. it may form a characteristic part of the fragrance. It also tends to round off the Aldehyde notes in combination with styrallyl esters. it has found extensive use in apple, apricot, orange, peach, pineapple, rum, strawberry, tutti-frutti, etc.4. Widely used in the preparation of food flavors, spices, tobacco flavors and pineapple and other fruit flavors, and also used as an organic synthesis of intermediates. Allyl Hexanoate is a liquid flavoring agent with a strong pineapple
odor and pale yellow color. it is practically insoluble in propylene
glycol and miscible with alcohol, most fixed oils, and mineral oil.
it is obtained by chemical synthesis. it can be used alone or in com-
bination with other flavoring substances or adjuvants. it is also
termed allyl caproate.
-
Production method
synthesis of allyl hexanoate(1) solid acid catalytic method: Add 23.2 g (0.4 mol) of propenol, 23.2 g (0.2 mol) of hexanoic acid, 0.1 g of hydroquinone, 3.0 g of solid super TiO2/SO4-2 and 30 mL of toluene into a 150 mL flask. Heat for reflux for 1.5h and the generated water were taken out by the azeotropic agent toluene. The reaction solution was cooled and filtered, and the solid acid could be repeatedly used after being dried. Add 0.1g of cuprous chloride in the filtrate, and then distillate them to collect the fraction of 186-188 ° C. The obtained finished products was 27.1g with a yield of 86.9%, and the refractive index n20d was 1.4241.(2) sulfuric acid catalytic method: Firstly, hexanoic acid and allyl alcohol performed esterification in catalysis of sulfuric acid. After the end of the reaction, the above esters were washed with water and then were neutralized with 15% Na2CO3 solution and washed with water to neutral. Add anhydrous sodium carbonate or anhydrous calcium chloride for dehydration. Finally, Allyl hexanoate were obtained by further filtration and vacuum distillation.
