Allyl hexanoate
Synonym(s):2-Propenyl hexanoate;Allyl caproate
- CAS NO.:123-68-2
- Empirical Formula: C9H16O2
- Molecular Weight: 156.22
- MDL number: MFCD00038339
- EINECS: 204-642-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:15:32
What is Allyl hexanoate?
Chemical properties
Allyl hexanoate is a colorless to slightly yellow transparent liquid with fruity sweet, pineapple-like taste and fruit-like aroma (pineapple). It has been shown to occur in pineapple. It has a typical pineapple odor and is used in, for example, pineapple flavors.
Occurrence
Allyl hexanoate has also been reported to occur naturally in baked potato, mushroom and pineapples.
The Uses of Allyl hexanoate
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.
Preparation
Allyl hexanoate is directly esterified by hexanoic acid and allyl alcohol under the catalysis of sulfuric acid, and then neutralized, washed with water and rectified to obtain the finished product.
Definition
ChEBI: 2-Propenyl hexanoate is a fatty acid ester.
Taste threshold values
Taste characteristics at 10 ppm: sweet, fresh, juicy, pineapple and fruity
General Description
Allyl hexanoate is a volatile flavoring compound with a pineapple flavor. It is naturally found in pineapple, baked potatoes and mushrooms. Allyl hexanoate is used as a flavoring agent in chewing gum, candies and baked goods.
Safety Profile
Poison by ingestion and skin contact. Mutation data reported. An irritant to human skin. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALLYL COMPOUNDS and ESTERS
Metabolism
Clapp, Kaye & Young (1969) have reported on the metabolism of allyl compounds in the rat. These compounds react with reduced glutathione in the liver and the resultant product, after hydrolysis and N-acetylation gives rise to the mercapturic acid, which is readily excreted in the urine.
Solubility in organics
Almost insoluble in water, miscible withalcohol, essential oils and perfume and flavorchemicals.
Properties of Allyl hexanoate
Melting point: | -57.45°C (estimate) |
Boiling point: | 75-76 °C/15 mmHg (lit.) |
Density | 0.887 g/mL at 25 °C (lit.) |
vapor pressure | 2.69hPa at 25℃ |
refractive index | n |
FEMA | 2032 | ALLYL HEXANOATE |
Flash point: | 151 °F |
storage temp. | Sealed in dry,Room Temperature |
solubility | 0.06g/l |
form | neat |
color | Colorless to Almost colorless |
Odor | at 10.00 % in dipropylene glycol. sweet fruity pineapple tropical ethereal rum arrack fatty cognac |
Water Solubility | PRACTICALLY INSOLUBLE |
JECFA Number | 3 |
CAS DataBase Reference | 123-68-2(CAS DataBase Reference) |
NIST Chemistry Reference | Hexanoic acid, 2-propenyl ester(123-68-2) |
EPA Substance Registry System | Allyl hexanoate (123-68-2) |
Safety information for Allyl hexanoate
Signal word | Danger |
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Environment GHS09 |
GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for Allyl hexanoate
Allyl hexanoate manufacturer
HRV Global Life Sciences
Indenta Chemicals (India) Pvt Ltd
Silverline Chemicals
Aamirav Ingredients And Specialties Pvt Ltd
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