ChemicalBook--->CAS DataBase List--->2021-28-5

2021-28-5

2021-28-5 Structure

2021-28-5 Structure
IdentificationMore
[Name]

Ethyl 3-phenylpropionate
[CAS]

2021-28-5
[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
[EINECS(EC#)]

217-966-6
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00009206
[Molecular Weight]

178.23
[MOL File]

2021-28-5.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

122-124 °C
[Boiling point ]

247-248 °C(lit.)
[bp ]

247-248 °C(lit.)
[density ]

1.01 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.494(lit.)
[FEMA ]

2455
[Fp ]

226 °F
[storage temp. ]

2-8°C
[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]

2021-28-5(EPA Substance)
Safety DataBack Directory
[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 .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29163900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl cinnamate-->ETHYL 2-PHENYLPROPIONATE-->Ethanol-->1,2-Ethanediyl, 1-phenyl- (9CI)
[Preparation Products]

ETHYL CYCLOHEXANEPROPIONATE-->2-(2-phenylethyl)chromone
Hazard InformationBack Directory
[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.
[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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Phenylpropionic acid ethyl ester(2021-28-5).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 3-phenylpropionate(2021-28-5)MS
Ethyl 3-phenylpropionate(2021-28-5)1HNMR
Ethyl 3-phenylpropionate(2021-28-5)13CNMR
Ethyl 3-phenylpropionate(2021-28-5)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl 3-phenylpropionate, 98%(2021-28-5)
[Alfa Aesar]

Ethyl 3-phenylpropionate, 98+%(2021-28-5)
[Sigma Aldrich]

2021-28-5(sigmaaldrich)
[TCI AMERICA]

Ethyl 3-Phenylpropionate,>98.0%(GC)(2021-28-5)
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