HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-2-butinoat
2-butynoate · ETHYL TETROLATE · Ethyl Butynoate · Ethyltetrolate,T · ETHYL 2-BUTYNOATE · ethyle2-butynoate · Ethyl2-butynoate,98+% · Ethyl 2-butynoate, 95%
Identifikatoren & physikalische Daten
| CAS No. | 4341-76-8 |
|---|---|
| Summenformel | C6H8O2 |
| Durchschnittliche Molmasse | 112,13 g/mol |
| Monoisotopische Masse | 112,05242949 g/mol |
| SMILES | CC#CC(=O)OCC |
| InChIKey | FCJJZKCJURDYNF-UHFFFAOYSA-N |
| PubChem CID | 78043 |
| ChEMBL | CHEMBL4094027 |
| EC No. | 224-395-6 |
| DTXSID | DTXSID20195846 |
| Lokaler Name | Ethyl-2-butinoat |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 135 |
| Siedepunkt | 160-161 °C/730 mmHg (lit.) |
| Dichte | 0.962 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.436(lit.) |
| Flammpunkt | 145 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform, Ethyl AcetateMiscible with water, chloroform and ethyl acetate. |
| Aggregatzustand | Powder |
| Wichte | 0.962 |
| Farbe | Grey to red to brown |
| BRN | 1744948 |
| InChI | 1S/C6H8O2/c1-3-5-6(7)8-4-2/h4H2,1-2H3 |
| InChIKey | FCJJZKCJURDYNF-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C#CC |
| CAS Datenbank | 4341-76-8(CAS DataBase Reference) |
| NIST chemische Informationen | Ethyl 2-butynoate(4341-76-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (10.4%): Flammable liquid and vapor [Warning Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (10.4%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.9%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29161900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 3.2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Ethyl 2-butynoate is used as a precursor for the synthesis of 3-ethyl, 1-methyl 1-(2-nitrophenyl)-cyclopent-3-ene-1,3-dicarboxylate, alkenylsilanols and tricyclic aziridine derivatives. It acts as a methanogenesis inhibitor. As an electron deficient alkyne derivative, it plays a vital role in the preparation of 1,3-dienes catalyzed by rhodium(I)/H8-BINAP complex.