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| | Allyl phenylacetate Basic information |
| | Allyl phenylacetate Chemical Properties |
| Boiling point | 239-240 °C(lit.) | | density | 1.037 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.508(lit.) | | FEMA | 2039 | ALLYL PHENYLACETATE | | Fp | >230 °F | | form | clear liquid | | color | A colourless slightly viscous liquid. | | Odor | at 100.00 %. honey fruity rum | | Odor Type | honey | | biological source | synthetic | | JECFA Number | 17 | | Major Application | flavors and fragrances | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2 | | InChIKey | ZCDYAMJXVAUTIM-UHFFFAOYSA-N | | SMILES | C=CCOC(=O)Cc1ccccc1 | | LogP | 2.81 | | CAS DataBase Reference | 1797-74-6(CAS DataBase Reference) | | EPA Substance Registry System | Benzeneacetic acid, 2-propenyl ester (1797-74-6) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | RTECS | AJ2450000 | | TSCA | TSCA listed | | HS Code | 29163990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | | toxicity | The acute oral LD50 value in rats was reported as 0.65 g/kg and the acute dermal LD50 value in rabbits as >0.31 g/kg |
| | Allyl phenylacetate Usage And Synthesis |
| Chemical Properties | A colorless liquid with sweet honey-like, but faint odor and sweet fruity undertones. B.P. approx. 230° C. Insoluble in water, miscible with alcohol
and oils. | | Occurrence | Has apparently not been reported to occur in nature | | Uses | Allyl Phenylacetate is a synthetic flavoring agent that is a stable,
colorless to light yellow liquid with a fruity odor of banana and
honey. it should be stored in glass or tin containers. it is used in
flavors for honey and has application in candy and baked goods at
10–15 ppm. Allyl Phenylacetate is used in flavor compositions as a modifier
with other Phenylacetates in imitation Pineapple, Honey and various fruit or Rum flavors.
Concentration up to 40 ppm in baked goods
(finished prod.). Its honey-like aroma is also
utilized in tobacco flavoring. | | Preparation | By direct esterification in benzene solution | | Definition | ChEBI: 2-Propenyl phenylacetate is a member of benzenes. | | Synthesis Reference(s) | Synthesis, p. 112, 1991 DOI: 10.1055/s-1991-26391 | | Safety Profile | Moderatelv toxic by
ingestion. A human sktn irritan;. When
heated to decomposition it emits acrid
smoke and irritating fumes. See also
ESTERS and ALLYL COMPOUNDS. | | Metabolism | In the rat, allyl acetate and allyl alcohol are metabolized to 3-hydroxypropylmercapturic acid, which is excreted in the urine |
| | Allyl phenylacetate Preparation Products And Raw materials |
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