Allyl hexanoate
- CAS No.
- 123-68-2
- Chemical Name:
- Allyl hexanoate
- Synonyms
- ALLYL CAPROATE;allyle;2-Propenyl n-hexanoate;FEMA 2032;ALLYLCAPRONAT;Allylhexanoat;Allylhexylate;Ally Caproate;Allylcapronate;allylecaproate
- CBNumber:
- CB9205910
- Molecular Formula:
- C9H16O2
- Molecular Weight:
- 156.22
- MDL Number:
- MFCD00038339
- MOL File:
- 123-68-2.mol
- MSDS File:
- SDS
| 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℃ |
| FEMA | 2032 | ALLYL HEXANOATE |
| refractive index |
n |
| Flash point | 151 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 0.06g/l |
| color | Colorless to Almost colorless |
| Odor | at 10.00 % in dipropylene glycol. sweet fruity pineapple tropical ethereal rum arrack fatty cognac |
| Odor Type | fruity |
| Water Solubility | PRACTICALLY INSOLUBLE |
| JECFA Number | 3 |
| LogP | 3.191 at 20℃ |
| CAS DataBase Reference | 123-68-2(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | ALLYL HEXANOATE |
| EWG's Food Scores | 1-2 |
| FDA UNII | 3VH84A363D |
| NIST Chemistry Reference | Hexanoic acid, 2-propenyl ester(123-68-2) |
| EPA Substance Registry System | Allyl hexanoate (123-68-2) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS06,GHS09 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H301+H311-H411 | |||||||||
| Precautionary statements | P264-P270-P273-P280-P301+P310-P302+P352+P312 | |||||||||
| Hazard Codes | T,N | |||||||||
| Risk Statements | 22-24-51/53-R51/53-R24-R22 | |||||||||
| Safety Statements | 36/37-45-61-S61-S45-S36/37 | |||||||||
| RIDADR | UN 2810 6.1/PG 3 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | MO6125000 | |||||||||
| HazardClass | 6.1(b) | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29159080 | |||||||||
| Toxicity | The acute oral LD50 in rats was 218 mg/kg and in guinea-pigs 280 mg/kg . The acute dermal LD50 for sample no. 71-20 was reported as 0-3ml/kg in the rabbit | |||||||||
| NFPA 704 |
|
Allyl hexanoate price More Price(23)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | W203211 | Allyl hexanoate natural, ≥98%, FCC, FG | 123-68-2 | 25g | $124 | 2024-03-01 | Buy |
| Sigma-Aldrich | W203211 | Allyl hexanoate natural, ≥98%, FCC, FG | 123-68-2 | 100g | $157 | 2024-03-01 | Buy |
| Sigma-Aldrich | W203211 | Allyl hexanoate natural, ≥98%, FCC, FG | 123-68-2 | 1kg | $345 | 2024-03-01 | Buy |
| Sigma-Aldrich | W203211 | Allyl hexanoate natural, ≥98%, FCC, FG | 123-68-2 | 4kg | $1010 | 2024-03-01 | Buy |
| Sigma-Aldrich | W203203 | Allyl hexanoate ≥98%, FCC, FG | 123-68-2 | 1kg | $80.9 | 2024-03-01 | Buy |
Allyl hexanoate Chemical Properties,Uses,Production
Chemical Properties
Colorless to pale yellow liquid; pineapple aroma; Soluble in organic solvents; insoluble in water.
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.
Use limits
FEMA (mg/kg): soft drinks 7.0; cold drinks 11.0; candy 32; baked food 25; pudding class 22;
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.
Hazards & Safety Information
Category Toxic substances
Toxicity classification high toxicity
Acute toxicity peritoneal-rat LD50: 218 mg/kg; Oral-guinea pig LD50: 280 mg/kg
Stimulation Data Skin-human 20 mg/48 h mild
Flammability Hazardous characteristics
Flammable; Combustion produces irritating fumes
Storage and transportation characteristics
Stored in the low-temperature, well-ventilated and dry warehouse; stored separately with food raw materials
Fire extinguishing agent
dry powder, foam, sand, carbon dioxide, mist water
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.
Uses
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.
Allyl hexanoate Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Changzhou AniKare Pharmatech Co., Ltd. | +86-0519-8359-8696 +8618018249389 | sales@anikare.com | China | 8382 | 58 |
| Henan Xiangduo Industry Co., Ltd. | +86-15981848961 +86-15981848961 | sales@xiangduochem.com | China | 497 | 58 |
| Hebei Mojin Biotechnology Co., Ltd | +8613288715578 | sales@hbmojin.com | China | 12456 | 58 |
| Hebei Jingbo New Material Technology Co., Ltd | +8619931165850 | hbjbtech@163.com | China | 1000 | 58 |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21691 | 55 |
| Hangzhou FandaChem Co.,Ltd. | 008657128800458; +8615858145714 | fandachem@gmail.com | China | 9348 | 55 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418679 +86-18949832763 | info@tnjchem.com | China | 2989 | 55 |
| career henan chemical co | +86-0371-86658258 | sales@coreychem.com | China | 29914 | 58 |
| Hubei Jusheng Technology Co.,Ltd. | 18871490254 | linda@hubeijusheng.com | CHINA | 28180 | 58 |
| Hebei Guanlang Biotechnology Co., Ltd. | +86-19930503282 | alice@crovellbio.com | China | 8823 | 58 |
View Lastest Price from Allyl hexanoate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2023-12-25 | Allyl hexanoate
123-68-2
|
US $8.00 / kg | 1kg | 98% | 200000 | Hebei Jingbo New Material Technology Co., Ltd | |
 |
2023-08-05 | Allyl hexanoate
123-68-2
|
US $0.00-0.00 / kg | 1kg | 99% | 500000kg | Hebei Yibangte Import and Export Co. , Ltd. | |
 |
2023-06-30 | Allyl hexanoate
123-68-2
|
US $0.00 / KG | 1KG | 99% | 50000KG/month | Hebei Mojin Biotechnology Co., Ltd |
-
- Allyl hexanoate
123-68-2
- US $8.00 / kg
- 98%
- Hebei Jingbo New Material Technology Co., Ltd
-
- Allyl hexanoate
123-68-2
- US $0.00-0.00 / kg
- 99%
- Hebei Yibangte Import and Export Co. , Ltd.
-
- Allyl hexanoate
123-68-2
- US $0.00 / KG
- 99%
- Hebei Mojin Biotechnology Co., Ltd