Introduction：Basic information about Ethyl 3-phenylpropionate CAS 2021-28-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
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.) |
| FEMA | 2455 | ETHYL 3-PHENYLPROPIONATE |
| 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 |
| Odor Type | floral |
| biological source | synthetic |
| 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 | Ethyl 3-phenylpropionate (2021-28-5) |
Safety Information
| Safety Statements | 23-24/25 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29163900 |
| Storage Class | 10 - Combustible liquids |
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. |
| Synthesis | Ethyl 3-phenylpropionate is synthesized by Hydrocinnamic acid and Ethanol by normal esterification. |
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-->5-Benzyl-2,6-dichloronicotinonitrile |
