ChemicalBook--->CAS DataBase List--->1797-74-6

1797-74-6

1797-74-6 Structure

1797-74-6 Structure
IdentificationMore
[Name]

ALLYL PHENYLACETATE
[CAS]

1797-74-6
[Synonyms]

ALLYL PHENYLACETATE
FEMA 2039
PHENYLACETIC ACID ALLYL ESTER
2-Propenyl phenylacetate
2-propenylphenylacetate
Acetic acid, phenyl-, allyl ester
Benzeneaceticacid,2-propenylester
phenyl-aceticaciallylester
ALLYL PHENYLACETATE 99+%
Benzeneacetic acid allyl ester
Phenylacetic acid 2-propenyl ester
[EINECS(EC#)]

217-281-2
[Molecular Formula]

C11H12O2
[MDL Number]

MFCD00048176
[Molecular Weight]

176.21
[MOL File]

1797-74-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

239-240 °C(lit.)
[density ]

1.037 g/mL at 25 °C(lit.)
[FEMA ]

2039
[refractive index ]

n20/D 1.508(lit.)
[Fp ]

>230 °F
[form ]

clear liquid
[color ]

A colourless slightly viscous liquid.
[Odor]

at 100.00 %. honey fruity rum
[biological source]

synthetic
[Odor Type]

honey
[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
[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.
[CAS DataBase Reference]

1797-74-6(CAS DataBase Reference)
[EPA Substance Registry System]

Benzeneacetic acid, 2-propenyl ester (1797-74-6)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[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
[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.
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Allyl alcohol-->Phenylacetic acid
Hazard InformationBack Directory
[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
[Definition]

ChEBI: 2-Propenyl phenylacetate is a member of benzenes.
[Preparation]

By direct esterification in benzene solution
[Synthesis Reference(s)]

Synthesis, p. 112, 1991 DOI: 10.1055/s-1991-26391
[Metabolism]

In the rat, allyl acetate and allyl alcohol are metabolized to 3-hydroxypropylmercapturic acid, which is excreted in the urine
Spectrum DetailBack Directory
[Spectrum Detail]

ALLYL PHENYLACETATE(1797-74-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1797-74-6(sigmaaldrich)
[TCI AMERICA]

Allyl Phenylacetate,>98.0%(GC)(1797-74-6)
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