2021-28-5
ethyl 3-phenylpropionate
CAS: 2021-28-5
Molecular Formula: C11H14O2
2021-28-5 - Names and Identifiers
| Name | ethyl 3-phenylpropionate |
| Synonyms | FEMA 2455 Ethyl hydrocinnamate ETHYL HYDROCINNAMATE ETHYL DIHYDROCINNAMATE ethyl 3-phenylpropionate ETHYL 3-PHENYLPROPIONATE ethyl 3-phenylpropanoate ETHYL B-PHENYLPROPIONATE 3-Ethyl phenylpropionate 3- phenylethyl propionate HYDROCINNAMIC ACID ETHYL ESTER 3-Phenylpropionic acid ethyl ester |
| CAS | 2021-28-5 |
| EINECS | 217-966-6 |
| InChI | InChI=1/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 |
2021-28-5 - Physico-chemical Properties
| Molecular Formula | C11H14O2 |
| Molar Mass | 178.23 |
| Density | 1.01g/mLat 25°C(lit.) |
| Melting Point | 122-124 °C |
| Boling Point | 247-248°C(lit.) |
| Flash Point | 226°F |
| JECFA Number | 644 |
| Solubility | Chloroform (Soluble), DMSO (Slightly), Methanol |
| Vapor Presure | 0.028mmHg at 25°C |
| Appearance | Oil |
| Specific Gravity | 1.013 |
| Color | Colourless |
| BRN | 1910432 |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.494(lit.) |
| Physical and Chemical Properties | Colorless slightly oily liquid, sweet fruit and honey like flowers. The boiling point is 247~249 °c, and the flash point is 108 °c. Relative density (d420)1.015, refractive index (nD17.8)1.4951. Insoluble in water, soluble in most organic solvents and oils, miscible in ethanol. |
| Use | Used as pharmaceutical intermediates, also used in organic synthesis |
2021-28-5 - Risk and Safety
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29163900 |
2021-28-5 - Reference Information
| FEMA | 2455 | ETHYL 3-PHENYLPROPIONATE |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | can be used safely in foods (FDA,§ 172.515,2000). |
| usage limit | FEMA(mg/kg): Soft drink 1.8; Cold drink 1.0; Candy 2.5; baked goods 0.50~30. |
| Use | GB 2760-1996 specifies the permitted use of food flavors. used as pharmaceutical intermediates, also used in organic synthesis used in pharmaceutical intermediates, organic synthesis. |
| production method | from ethyl cinnamate in ethanol solution and nickel catalyzed hydrogenation. |
Last Update：2024-04-09 15:16:45
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