Product

Ethyl 3-phenylpropionate

CAS No.：2021-28-5

Other grades of this product :

Ethyl 3-phenylpropionate Basic information

Product Name:	Ethyl 3-phenylpropionate
Synonyms:	ETHYL HYDROCINNAMATE;ETHYL B-PHENYLPROPIONATE;ETHYL DIHYDROCINNAMATE;ETHYL 3-PHENYLPROPIONATE;HYDROCINNAMIC ACID ETHYL ESTER;FEMA 2455;3- phenylethyl propionate;Ethyl hydrocinnaMate 99%
CAS:	2021-28-5
MF:	C11H14O2
MW:	178.23
EINECS:	217-966-6
Product Categories:	Aromatic Cinnamic Acids, Esters and Derivatives;Organic acids;Pharmaceutical Intermediates;2021-28-5
Mol File:	2021-28-5.mol

Ethyl 3-phenylpropionate Chemical Properties

Melting point	122-124 °C
Boiling point	247-248 °C(lit.)
density	1.01 g/mL at 25 °C(lit.)
refractive index	n20/D 1.494(lit.)
FEMA	2455 \| ETHYL 3-PHENYLPROPIONATE
Fp	226 °F
storage temp.	2-8°C
solubility	Chloroform (Soluble), DMSO (Slightly), Methanol
form	Oil
color	Colourless
Specific Gravity	1.013
Water Solubility	<0.1 g/100 mL at 25 ºC
JECFA Number	644
BRN	1910432
InChIKey	JAGZUIGGHGTFHO-UHFFFAOYSA-N
CAS DataBase Reference	2021-28-5(CAS DataBase Reference)
NIST Chemistry Reference	Benzenepropanoic acid, ethyl ester(2021-28-5)
EPA Substance Registry System	Ethyl 3-phenylpropionate (2021-28-5)

Safety Information

Safety Statements	23-24/25
WGK Germany	3
TSCA	Yes
HS Code	29163900

MSDS Information

Provider	Language
3-Phenylpropionic acid ethyl ester	English
ACROS	English
SigmaAldrich	English
ALFA	English

Ethyl 3-phenylpropionate Usage And Synthesis

Chemical Properties	clear colorless to light yellow liquid
Chemical Properties	Ethyl 3-phenylpropionate has an ethereal, rum, fruity, floral odor.
Occurrence	Reported found in rum, passion fruit, plum brandy, caja fruit (Spondias lutea L.) and checkur (Alpinia sessilis).
Uses	Ethyl 3-phenylpropionate is used as an active pharmaceutical ingredient intermediate. It is also used in the synthesis of pyrimidine based inhibitors of cyclin-dependant kinases.
Preparation	By hydrogenation of the corresponding ethyl cinnamate in the presence of nickel in alcohol solution.
Aroma threshold values	Detection: 17 to 40 ppb
Synthesis Reference(s)	The Journal of Organic Chemistry, 50, p. 3406, 1985 DOI: 10.1021/jo00218a033Synthetic Communications, 22, p. 2683, 1992 DOI: 10.1080/00397919208021668Tetrahedron Letters, 42, p. 781, 2001 DOI: 10.1016/S0040-4039(00)02176-6
General Description	Clear colorless liquid.
Air & Water Reactions	Insoluble in water.
Reactivity Profile	Ethyl 3-phenylpropionate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Fire Hazard	The flash point of Ethyl 3-phenylpropionate has not been determined. but Ethyl 3-phenylpropionate is probably combustible.

Ethyl 3-phenylpropionate Preparation Products And Raw materials

Raw materials	Ethyl cinnamate-->ETHYL 2-PHENYLPROPIONATE-->Ethanol-->1,2-Ethanediyl, 1-phenyl- (9CI)
Preparation Products	ETHYL CYCLOHEXANEPROPIONATE-->2-(2-phenylethyl)chromone

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