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Ethylpropiolat
Ethyl prop-2-ynoate · EPL · Ethyl propargylate · Ethyl 2-propynoate · Ethyl propynoate · PropioL · HC≡CCO2C2H5 · Ethyl propinate
Identifikatoren & physikalische Daten
| CAS No. | 623-47-2 |
|---|---|
| Summenformel | C5H6O2 |
| Durchschnittliche Molmasse | 98,1 g/mol |
| Monoisotopische Masse | 98,03677943 g/mol |
| SMILES | C#CC(=O)OCC |
| InChIKey | FMVJYQGSRWVMQV-UHFFFAOYSA-N |
| PubChem CID | 12182 |
| ChEMBL | CHEMBL53384 |
| ChEBI | CHEBI:51740 |
| EC No. | 210-795-8 |
| DTXSID | DTXSID80211359 |
| Lokaler Name | Ethylpropiolat |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 106 |
| Stoffklassen | Other Classes -> Esters, Other |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | Colorless liquid with a pungent odormp = 9 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 9°C |
| Siedepunkt | 120 °C (lit.) |
| Dichte | 0.968 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.412(lit.) |
| Flammpunkt | 74 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Miscible with alcohol. |
| Aggregatzustand | Liquid |
| Wichte | 0.968 |
| Farbe | Clear colorless to pale yellow |
| Merck | 14,3846 |
| BRN | 878250 |
| Dielektrizitätskonstante | 7.0 |
| InChI | 1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3 |
| InChIKey | FMVJYQGSRWVMQV-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C#C |
| CAS Datenbank | 623-47-2(CAS DataBase Reference) |
| NIST chemische Informationen | Ethyl propiolate(623-47-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propynoic acid, ethyl esterStatus: Active Update: 06-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28015Ethyl acetylenecarboxylate: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin, respiratory tract, and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (98.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29161980 |
| R-Sätze (R) | 10-36/37/38-36-11 |
| Gefahrensymbole | Xi,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39-16-33-29-24-23 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Halogenated derivatives were used as substrates for direct, asymmetric alkynylation of cyclic -ketoesters using chiral phase-transfer catalysts. Also employed in a one-pot , four-component synthesis of benzene-1,2,3,5-tetracarboxylates promoted by Ph3P.