HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Ethylacrylaldehyd
2-ETHYLACROLEIN · 2-methylenebutanal · α-Ethylacrolein · ethacrolein · Ethylacrolein · 2-Ethacrolein · 2-ethylpropenal · 2-methylene-butana
Identifikatoren & physikalische Daten
| CAS No. | 922-63-4 |
|---|---|
| Summenformel | C5H8O |
| Durchschnittliche Molmasse | 84,12 g/mol |
| Monoisotopische Masse | 84,05751487 g/mol |
| SMILES | C=C(C=O)CC |
| InChIKey | GMLDCZYTIPCVMO-UHFFFAOYSA-N |
| PubChem CID | 70203 |
| ChEMBL | CHEMBL4085512 |
| EC No. | 213-079-3 |
| DTXSID | DTXSID1029205 |
| Lokaler Name | 2-Ethylacrylaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 64 |
| Dampfdruck | 36.4 [mmHg] |
| Physical Description | Colorless liquid with a pungent odor[Alfa Aesar MSDS] |
| Kovats Retention Index | 957974 |
| Schmelzpunkt | -101.15°C (estimate) |
| Siedepunkt | 92-93°C |
| Dichte | 0.859 g/mL at 25 °C(lit.) |
| Brechungsindex | 1.425 |
| Flammpunkt | 1°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in alcohol. Insoluble in water. |
| BRN | 1098378 |
| LogP (Verteilungskoeffizient) | 1.240 |
| CAS Datenbank | 922-63-4 |
| NIST chemische Informationen | 2-Ethylacrolein(922-63-4) |
| EPA chemische Informationen | 2-Ethylpropenal (922-63-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P320, P321, P330, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 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. |
|---|---|
| Regulatorische Informationen | Butanal, 2-methylene-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes changes in lung weight in 13-week intermittent inhalation studies of rats[RTECS] A skin and strong eye irritantToxic by inhalation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Acute Tox. 4 (90.9%)Acute Tox. 2 (100%) |
| Toxicity Data | LC50 (rat) = 289 ppm/4hr |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1992 |
| RTECS-Nr. | ES3480000 |
| R-Sätze (R) | 11-20/21/22-36/37/38 |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) |
Anwendungen & Verwendung
Verwenden
2-Ethylacrolein has been used in total synthesis of (+/-)-tabersonine, Aspidosperma alkaloid and synthesis of conjugate with bovine serum albumin tethered to Tn.