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103-52-6

Basic Information
CAS No.: 103-52-6
Name: Phenethyl butyrate
Article Data: 12
Molecular Structure:
Molecular Structure of 103-52-6 (Phenethyl butyrate)
Formula: C12H16O2
Molecular Weight: 192.258
Synonyms: Butyricacid, phenethyl ester (6CI,8CI);Phenethyl alcohol, butyrate (5CI);2-Phenethylbutanoate;2-Phenylethyl butanoate;2-Phenylethyl butyrate;2-Phenylethyln-butyrate;Benzylcarbinyl butyrate;NSC 406207;Phenethyl butanoate;
EINECS: 203-119-8
Density: 1.003 g/cm3
Boiling Point: 269.972 °C at 760 mmHg
Flash Point: 109.851 °C
Solubility: 1.159g/L at 30℃
Appearance: Colourless liquid; warm, floral and fruity odour
PSA: 26.30000
LogP: 2.57240
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Chemistry

MF: C12H16O2
MW: 192.25
EINECS: 203-119-8
Flash Point: >230 °F
IUPAC Name: Phenethyl butanoate
Refractive index: n20/D 1.49(lit.)
Density: 0.994 g/mL at 25 °C(lit.)
Enthalpy of Vaporization: 50.81 kJ/mol 
Boiling Point: 270 °C at 760 mmHg 
Vapour Pressure: 0.00703 mmHg at 25°C
Appearance: Colorless to pale yellow liquid
Solubility: almost insolve in water, soluble in ethanol
Product Categories: O-PFlavors and Fragrances ; Alphabetical Listings ; Flavors and Fragrances ; Prepackaged Samples
Synonyms: 2-Phenethyl butanoate ; 2-Phenethylbutanoate ; 2-Phenylethylbutyrate ; Butanoic acid, 2-Phenylethyl ester ; Butanoicacid,2-phenylethylester ; Butyric acid, phenethyl ester ; Butyricacid,phenethylester ; Phenethyl butanoate
Following is the molecular structure of Phenethyl butyrate (103-52-6):

Uses

Phenethyl butyrate (103-52-6) is used as Flavor,Mainly used for the preparation of strawberry, raspberry, peach, apple, pineapple, butter and honey flavor and wine flavor.

Production

Phenethyl butyrate (103-52-6) is forned by benzene-ethanol and butyric acid esterification .

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),859.
2.    

orl-rat LD50:4600 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),889.
3.    

orl-rbt LDLo:2 g/kg

    JEENAI    Journal of Economic Entomology. 48 (1955),139.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.