ChemicalBook CAS DataBase List 2021-28-5

2021-28-5

Name	Ethyl 3-phenylpropionate
CAS	2021-28-5
EINECS(EC#)	217-966-6
Molecular Formula	C11H14O2
MDL Number	MFCD00009206
Molecular Weight	178.23
MOL File	2021-28-5.mol

Synonyms

3-PHENYLPROPANOIC ACID ETHYL ESTER 3-PHENYLPROPANOIC AID ETHYL ESTER 3-PHENYLPROPIONIC ACID ETHYL ESTER ETHYL 3-PHENYLPROPIONATE ETHYL B-PHENYLPROPIONATE ETHYL DIHYDROCINNAMATE ETHYL HYDROCINNAMATE FEMA 2455 HYDROCINNAMIC ACID ETHYL ESTER RARECHEM AL BI 0160 Benzenepropanoicacid,ethylester Ethyl 3-phenylpropanoate ethyl 3-phenylproprionate ethylphenyl propanoate ethylphenylpropionate Ethyl hydrocinnamate~3-Phenylpropionic acid ethyl ester Benyl propionic ethyl ester ETHYL 3-PHENYLPROPIONATE 98+% ethyldihydrocinnamate,ethyl3-phenylpropanoate 3-phenylpropionic acid ethyl easter

Chemical Properties

Appearance	clear colorless to light yellow liquid
Melting point	122-124 °C
Boiling point	247-248 °C(lit.)
density	1.01 g/mL at 25 °C(lit.)
FEMA	2455
refractive index	n20/D 1.494(lit.)
Fp	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
biological source	synthetic
Odor Type	floral
Water Solubility	<0.1 g/100 mL at 25 ºC
JECFA Number	644
BRN	1910432
Major Application	flavors and fragrances
InChI	1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey	JAGZUIGGHGTFHO-UHFFFAOYSA-N
SMILES	CCOC(=O)CCc1ccccc1
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	2021-28-5(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P305+P351+P338
Safety Statements	S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S24/25:Avoid contact with skin and eyes . less more
WGK Germany	3
TSCA	Yes
HS Code	29163900
Storage Class	10 - Combustible liquids

Raw materials And Preparation Products

Hazard Information

General Description

Clear colorless liquid.

Reactivity Profile

ETHYL PHENYLPROPIONATE(2021-28-5) 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.

Air & Water Reactions

Insoluble in water.

Fire Hazard

The flash point of this chemical has not been determined. but ETHYL PHENYLPROPIONATE is probably combustible.

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

Synthesis

Ethyl 3-phenylpropionate is synthesized by Hydrocinnamic acid and Ethanol by normal esterification.

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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