ChemicalBook--->CAS DataBase List--->10031-93-3

10031-93-3

10031-93-3 Structure

10031-93-3 Structure
IdentificationBack Directory
[Name]

ETHYL 4-PHENYLBUTYRATE
[CAS]

10031-93-3
[Synonyms]

Ethyl4-phenylbutanoate
ETHYL 4-PHENYLBUTYRATE
ETHYL G-PHENYLBUTYRATE
ethyl 4-phenylbutanoat
Ethyl4-Phenylbutyrate>
4-Phenylbutyric acid ethyl
benzenebutanoicacid,ethylester
Ethyl 4-Phenylbutyrate USP/EP/BP
4-Phenylbutanoic acid ethyl ester
4-Phenyl-butyric acid ethyl ester
[Molecular Formula]

C12H16O2
[MDL Number]

MFCD00026923
[MOL File]

10031-93-3.mol
[Molecular Weight]

192.25
Chemical PropertiesBack Directory
[Boiling point ]

100°C/1mmHg(lit.)
[density ]

1.001 g/cm3
[FEMA ]

2453 | ETHYL 4-PHENYLBUTYRATE
[refractive index ]

1.4910 to 1.4950
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Colourless
[Odor]

at 10.00 % in dipropylene glycol. sweet fruity plum
[Odor Type]

fruity
[JECFA Number]

1458
[LogP]

3.30
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Phenylbutyric acid-->n-Propylbenzene
Safety DataBack Directory
[HS Code ]

2916.39.7900
Hazard InformationBack Directory
[Chemical Properties]

Ethyl 4-phenylbutyrate has a sweet, fruity, plum-like odor and cooked plum–prune taste.
[Uses]

Benzenebutanoic Acid Ethyl Ester is used in the synthesis of thiazolium salts with potent antimalarial activity. Also used in the preparation of novel lactate dehydrogenase A inhibitors. This compound is suitable for lactate dehydrogenase (LDH) related research.
[Application]

Ethyl-4-phenylbutanoate is probably used in flavors only. It imparts at a very low concentrations a certain amount of “natural” body and richness to many berries and other fruit flavours. The concentration used in such flavors is equivalent to about 0.06 to 1 ppm in the finished products.
[Definition]

ChEBI: Ethyl 4-phenylbutanoate is a fatty acid ester.
[Preparation]

By esterification of ethanol with γ-phenylbutyric acid obtained by Grignard reaction from γ-bromopropylbenzene.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 107, p. 1429, 1985 DOI: 10.1021/ja00291a063
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 4-PHENYLBUTYRATE(10031-93-3)1HNMR
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