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3-Phenylpropionic acid methyl ester

3-Phenylpropionic acid methyl ester Basic information
Product Name:3-Phenylpropionic acid methyl ester
Synonyms:methyl (3-phenyI) propanoate;Methyl 3-phenylpropanoate;Methyl benzenepropanoate;Methyl beta-phenylpropionate;Methyl dihydrocinnamate;Methyl esterof beta-Phenylpropionic acid;Methyl phenylpropionate;ASISCHEM D13382
CAS:103-25-3
MF:C10H12O2
MW:164.2
EINECS:203-092-2
Product Categories:Pharmaceutical Intermediates;Aromatic Cinnamic Acids, Esters and Derivatives;Organic acids;103-25-3
Mol File:103-25-3.mol
3-Phenylpropionic acid methyl ester Structure
3-Phenylpropionic acid methyl ester Chemical Properties
Melting point 142-145 °C
Boiling point 91-92 °C4 mm Hg(lit.)
density 1.043 g/mL at 25 °C(lit.)
refractive index n20/D 1.502(lit.)
FEMA 2741 | METHYL 3-PHENYLPROPIONATE
Fp 212 °F
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), Methanol (Slightly)
form Oil
color Colourless to Pale Yellow
Odorat 100.00 %. honey fruity wine balsam floral
Odor Typehoney
Water Solubility Soluble in chloroform. Insoluble in water.
JECFA Number643
BRN 1909591
InChIKeyRPUSRLKKXPQSGP-UHFFFAOYSA-N
LogP2.26
CAS DataBase Reference103-25-3(CAS DataBase Reference)
NIST Chemistry Reference3-Phenylpropanoic acid methyl ester(103-25-3)
EPA Substance Registry SystemBenzenepropanoic acid, methyl ester (103-25-3)
Safety Information
Safety Statements 24/25
WGK Germany 2
TSCA Yes
HS Code 29163990
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
3-Phenylpropionic acid methyl ester Usage And Synthesis
DescriptionMethyl 3-phenylpropionate has a strong floral-fruity odor. May be prepared by reduction of methyl cinnamate in methanol solution with hydrogen and Ni under pressure.
Chemical PropertiesClear light yellow liquid
Chemical PropertiesMethyl-3-phenylpropionate has a strong floral–fruity odor, with honey and wine-like undertones
OccurrenceReported found in tabasco peppers, grapes, rhubarb, soursop and basil
UsesMethyl 3-phenylpropionate, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. 3-Phenylpropionic Acid Methyl Ester is an ester derivative of 3-phenylpropionic acid that is sometimes present in fragrance ingredients. It is also used as an application, aromatic intermediate.
PreparationBy reduction of methyl cinnamate in methanol solution with hydrogen and Ni under pressure
DefinitionChEBI: Methyl 3-phenylpropanoate is a methyl ester resulting from the formal condensation of the carboxy group of 3-phenylpropionic acid with methanol. It has a role as a volatile oil component, a flavouring agent and a human metabolite. It is a methyl ester and a member of benzenes. It is functionally related to a 3-phenylpropionic acid.
Aroma threshold valuesAroma characteristics at 1.0%: sweet, rich spicy Ceylon cinnamonlike, balsamic with fruity, resinous and powdery nuances
Taste threshold valuesTaste characteristics at 5 ppm: cinnamon spicy, sweet, balsamic with fruity floral and resinous nuances.
Synthesis Reference(s)Tetrahedron Letters, 30, p. 5293, 1989 DOI: 10.1016/S0040-4039(01)93768-2
Journal of the American Chemical Society, 95, p. 625, 1973 DOI: 10.1021/ja00783a073
[S,(-)]-3,3,3-Trifluoro-2-methoxy-2-phenylpropionic acid methyl ester ETHYL HYDROCAFFEATE Methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate [S,(+)]-2-Cyano-2-methyl-3-phenylpropionic acid methyl ester [R,(-)]-3,3,3-Trifluoro-2-hydroxy-2-phenylpropionic acid methyl ester,[S,(+)]-3,3,3-Trifluoro-2-hydroxy-2-phenylpropionic acid methyl ester Ethyl N-acetyl-L-tyrosinate hydrate diethyl (3,4,5-trimethoxybenzoyl)malonate [S,(-)]-3-Hydroxy-2-phenylpropionic acid methyl ester [S,(-)]-3-Bromo-3-phenylpropionic acid methyl ester COUMACHLOR Methyl L-tyrosinate ethyl 2-benzylbenzoylacetate [R,(+)]-2-[(Trifluoroacetyl)oxy]-2-phenylpropionic acid methyl ester,[S,(-)]-2-[(Trifluoroacetyl)oxy]-2-phenylpropionic acid methyl ester 3-(2-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER [S,(-)]-3-Hydroxy-3-phenylpropionic acid methyl ester [R,(+)]-2-(Acetyloxy)-3-phenylpropionic acid methyl ester (2R,3R)-2-Methyl-3-hydroxy-3-phenylpropionic acid methyl ester 2-Bromo-3-[4-(2-(5-ethyl-2-pyridyl)ethoxy)phenyl]propionic acid methyl ester
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