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Ethyl 3-phenylpropionate

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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
  • 11
Mol File:
2021-28-5.mol
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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
Flash point:
226 °F
storage temp. 
2-8°C
solubility 
Chloroform (Soluble), DMSO (Slightly), Methanol
form 
Oil
color 
Colourless
Specific Gravity
1.013
Odor
at 100.00 %. hyacinth rose honey fruity rum
Odor Type
floral
Water Solubility 
<0.1 g/100 mL at 25 ºC
JECFA Number
644
BRN 
1910432
InChIKey
JAGZUIGGHGTFHO-UHFFFAOYSA-N
LogP
2.79
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)
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Safety Information

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

MSDS

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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.

Definition

ChEBI: Ethyl 3-phenylpropanoate is a fatty acid ester.

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/jo00218a033
Synthetic Communications, 22, p. 2683, 1992 DOI: 10.1080/00397919208021668
Tetrahedron 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 3-phenylpropionateSupplier

Shanghai Boyle Chemical Co., Ltd.
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