1797-74-6

Basic information

• Product Name: ALLYL PHENYLACETATE
• Synonyms: PHENYLACETIC ACID ALLYL ESTER;ALLYL PHENYLACETATE 99+%;Benzeneacetic acid allyl ester;Phenylacetic acid 2-propenyl ester;2-phenylacetic acid allyl ester;prop-2-enyl 2-phenylacetate;prop-2-enyl 2-phenylethanoate;Allyl 2-phenylacetate
• CAS NO: 1797-74-6
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.21
• EINECS: 217-281-2
• Product Categories: A-B;Alphabetical Listings;Flavors and Fragrances
• Mol File: 1797-74-6.mol
• Article Data: 22

Chemical Properties

• Boiling Point: 239-240 °C(lit.)
• Flash Point: >230 °F
• Appearance: Colourless, slightly viscous liquid with a honey-like odour
• Density: 1.037 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0171mmHg at 25°C
• Refractive Index: n20/D 1.508(lit.)
• CAS DataBase Reference: ALLYL PHENYLACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: ALLYL PHENYLACETATE(1797-74-6)
• EPA Substance Registry System: ALLYL PHENYLACETATE(1797-74-6)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• RTECS: AJ2450000
• Hazardous Substances Data: 1797-74-6(Hazardous Substances Data)

Usage

Chemical Properties

A colorless liquid with sweet honey-like, but faint odor and sweet fruity undertones.

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.

Preparation

By direct esterification in benzene solution

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

InChI:InChI=1/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2

Upstream product

• 3282-32-4 2-diazo-acetophenone 
• 107-18-6 allyl alcohol 
• 103-82-2 phenylacetic acid 
• 107-05-1 3-chloroprop-1-ene 
• 30160-48-6 N-Allyl-2-phenylethanamide 
• 4861-85-2 isopropyl phenylacetate 
• 101-97-3 Ethyl 2-phenylethanoate 
• 99853-19-7 α-bromo phenylacetic acid allyl ester 
• 108-98-5 thiophenol 
• 24850-33-7 allyltributylstanane 
• 106-95-6 allyl bromide 
• 101-41-7 benzeneacetic acid methyl ester 
• 103-80-0 phenylacetyl chloride 

Downstream Products

• 1042096-59-2 ethyl 2-(benzylcarbonyl)-2,3-dimethyl-4-phenyl-3(E)-butenoate 
• 63106-93-4 (1S,5R)-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one 
• 96847-52-8 (1R,2S)-2-oxo-1-phenyl-3-oxabicyclo[3.1.0]hexane 
• 189219-04-3 1-(2-allyl-4-methoxyphenyl)ethan-1-one 
• 6282-41-3 α-hydroxyphenylacetic acid allyl ester 
• 145193-16-4 allyl α-phenyl-α-diazoacetate 
• 34414-53-4 (E)-1-methoxy-4-(3-(4-methoxyphenyl)allyl)benzene 
• 1372715-65-5 methyl 2-phenyl-2-(2-phenylacetoxy)pent-4-enoate 

Relevant articles and documents

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