Acetic acid, phenoxy-, 2-propenyl ester
Allyl phenoxyacetate
CAS: 7493-74-5
Molecular Formula: C11H12O3
Acetic acid, phenoxy-, 2-propenyl ester - Names and Identifiers
| Name | Allyl phenoxyacetate |
| Synonyms | FEMA 2038 Acetate PA ACETATE PA ALLYL PHENOXYACETATE Allyl phenoxyacetate 2-PROPENYLPHENOXYACETATE 2-Propenyl phenoxyacetate prop-2-en-1-yl phenoxyacetate phenoxy-aceticaci2-propenylester Acetic acid, phenoxy-, allyl ester Aceticacid,phenoxy-,2-propenylester Acetic acid, phenoxy-, 2-propenyl ester |
| CAS | 7493-74-5 |
| EINECS | 231-335-2 |
| InChI | InChI=1/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2 |
Acetic acid, phenoxy-, 2-propenyl ester - Physico-chemical Properties
| Molecular Formula | C11H12O3 |
| Molar Mass | 192.21 |
| Density | 1.102g/mLat 25°C(lit.) |
| Boling Point | 265-266°C(lit.) |
| Flash Point | >230°F |
| JECFA Number | 18 |
| Water Solubility | practically insoluble |
| Vapor Presure | 7Pa at 20℃ |
| Appearance | neat |
| Color | Colorless to Almost colorless |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | n20/D 1.516(lit.) |
| Physical and Chemical Properties | Boiling Point: 133 at 11mm Hg density: 1.102 refractive index: 1.515 flash point: 135 Appearance: light yellow liquid |
| Use | Can be used for the preparation of daily chemicals and food flavors |
Acetic acid, phenoxy-, 2-propenyl ester - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2810 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | AJ2240000 |
| HS Code | 29189900 |
| Hazard Class | 6.1 |
| Packing Group | III |
| Toxicity | The acute oral LD50 value in rats was reported as 0.475 ml/kg . The acute dermal LD50 in rabbits was reported as 0.82 ml/kg. |
Acetic acid, phenoxy-, 2-propenyl ester - Nature
Open Data Verified Data
colorless oily liquid. With similar pineapple-like sweet aroma. It is an aromatic ester with good stability. 80% ethanol can dissolve 2 parts of the product.
Last Update：2024-01-02 23:10:35
Acetic acid, phenoxy-, 2-propenyl ester - Preparation Method
Open Data Verified Data
It is obtained by azeotropic dehydration of phenoxyacetic acid and allyl alcohol with benzene, addition of an esterification catalyst cerium sulfate, and Reflux reaction.
Last Update：2022-01-01 10:08:14
Acetic acid, phenoxy-, 2-propenyl ester - Use
Open Data Verified Data
preparation of food flavor. It is used as soap essence, detergent essence, perfume essence, cream essence, etc.
Last Update：2022-01-01 10:08:14
Acetic acid, phenoxy-, 2-propenyl ester - Safety
Open Data Verified Data
rat acute oral LD50:0.389-0. 579mL/kg. Rabbit percutaneous LD50:0.82/kg. Under the closed condition, no irritation was found on the skin of the rabbit for 1 day. 1% of Vaseline in human closed skin contact test, two days found no stimulating effect.
Last Update：2022-01-01 10:08:15
Acetic acid, phenoxy-, 2-propenyl ester - Reference Information
| FEMA | 2038 | ALLYL PHENOXYACETATE |
| LogP | 2.33 at 24.7℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| production method | allyl phenoxyacetate is generally produced synthetically in two ways: 1. From phenoxyacetic acid and allyl alcohol in benzene solution by direct esterification. 2. The product is obtained by azeotropic dehydration of phenoxyacetic acid and allyl alcohol with benzene, adding cerium sulfate as an esterification catalyst, and reacting under reflux. It is obtained by direct esterification of phenoxyacetic acid and allyl alcohol in benzene solution. |
| toxicity | LD50475mg/kg (rat, oral). GRAS(FEMA). |
| usage limit | FEMA(mg/kg): Soft drink 0.82; Cold drink 0.004~0.40; Candy 2.3; baked products 0.02~1.0; 3.0 pudding. FDA,§ 172.515: limited to the appropriate amount. |
| Use | GB 2760-97 specifies the permitted use of food spices. can be used in the preparation of daily chemicals and food flavors |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50:475 mg/kg |
| flammability hazard characteristics | flammable; Combustion-induced irritating smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from food raw materials |
| extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
Last Update：2024-04-09 19:05:15
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