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Ethyl-3-ethoxypropionat
EEP · Propanoic acid, 3-ethoxy-, ethyl ester · ETHYL 3-ETHOXYPROPANOATE · 3-ETHOXYPROPIONIC ACID ETHYL ESTER · EEP-3 · eep solvent · Ektapro EEP · cas no 763-69-9
Identifikatoren & physikalische Daten
| CAS No. | 763-69-9 |
|---|---|
| Summenformel | C7H14O3 |
| Durchschnittliche Molmasse | 146,18 g/mol |
| Monoisotopische Masse | 146,09429431 g/mol |
| SMILES | CCOCCC(=O)OCC |
| InChIKey | BHXIWUJLHYHGSJ-UHFFFAOYSA-N |
| PubChem CID | 12989 |
| ChEMBL | CHEMBL3561286 |
| EC No. | 212-112-9 |
| DTXSID | DTXSID0027309 |
| Lokaler Name | Ethyl-3-ethoxypropionat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 90,9 |
| Solvents | Solvents -> Esters (<C12) |
| SpringerMaterials Properties | Boiling point |
| Dichte | 0.95 (USCG, 1999) - Less dense than waterwill float0.9496 @25 °C0.95 g/mL at 25 °C (lit.) |
| Flammpunkt | 138 °F (USCG, 1999)126 °F |
| Siedepunkt | 338 °F at 760 mmHg (USCG, 1999)Boiling point range = 165-172 °C170.1 °C @760 [mm Hg]166 °C (lit.) |
| Schmelzpunkt | -148 °F (USCG, 1999)-100 °C-75 °C |
| Dampfdruck | 0.9 [mmHg]2.0 hPa (25 °C) |
| Physical Description | Ethyl-3-ethoxypropionate is a water-white liquid with an ester-like odor. Floats on water. (USCG, 1999)CBIWater-white liquid with an ester-like odor[CAMEO]Water-white liquid with an ester-like odor. |
| Dampfdichte | 5.03 (vs air) |
| Brechungsindex | n20/D 1.405(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | water: soluble54.1 g/L at 20°C1.6 g/100 mL (20 ºC) |
| Aggregatzustand | Liquid |
| Farbe | Clear |
| Henry-Konstante | 1.5×10-2 mol/(m3Pa) at 25℃, Yaws (1999) |
| InChI | 1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3 |
| InChIKey | BHXIWUJLHYHGSJ-UHFFFAOYSA-N |
| SMILES | CCOCCC(=O)OCC |
| LogP (Verteilungskoeffizient) | 1.47 at 20℃ |
| CAS Datenbank | 763-69-9(CAS DataBase Reference) |
| NIST chemische Informationen | Propionic acid, 3-ethoxy-, ethyl ester(763-69-9) |
| EPA chemische Informationen | Ethyl 3-ethoxypropionate (763-69-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 15.2% (234 of 1538) of reports.WarningH226 (83.4%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1538 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 3-ethoxy-, ethyl esterPropanoic acid, 3-ethoxy-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-ethoxy-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 22-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1990Propanoic acid, 3-ethoxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Propanoic acid, 3-ethoxy-, ethyl ester: Human health tier I assessment |
| DOT-Kennzeichnung | Combustible Liquid |
| Brandgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Gesundheitsgefahren | Liquid or mist may irritate th eyes and skin. May cause headache, nausea and vomiting, central nervous system depression with dizziness, drowsiness and unconsciousness. (USCG, 1999) |
| Gefahrenübersicht | It appears to be similar to other esters with low toxicity. It is a mild mucous membrane irritant. Animal studies show no adverse effects below 250 ppm. Its unpleasant odor limits use as a substitute for glycol ethers in the electronics industry. [Sullivan, p. 450-1] A skin and eye irritantInhalation of high concentrations can cause CNS depression[CAMEO] |
| Reaktive Gruppe | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
Anwendungen & Verwendung
Verwenden
Ethyl 3-ethoxypropionate is used in the synthesis of phenols and selective inhibitors of cyclin-dependant kinase 4/6 for novel cancer therapies. It is also used as a solvent to prepare polymers. Further, it is used in paints and coatings.