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1-(2-Hydroxyethyl)pyrrolidin-2-on
1-(2-hydroxyethyl)pyrrolidin-2-one · 1-(2-HYDROXYETHYL)-2-PYRROLIDONE · N-HYDROXYETHYL PYRROLIDONE · 1-(2-HYDROXYETHYL)-2-PYRROLIDINONE · 2-Pyrrolidinone, 1-(2-hydroxyethyl)- · HEPEN · HEPEN HEP HEP HEXEN · Hydroxyethylpyrrolidone
Identifikatoren & physikalische Daten
| CAS No. | 3445-11-2 |
|---|---|
| Summenformel | C6H11NO2 |
| Durchschnittliche Molmasse | 129,16 g/mol |
| Monoisotopische Masse | 129,07897859 g/mol |
| SMILES | O=C1CCCN1CCO |
| InChIKey | WDQFELCEOPFLCZ-UHFFFAOYSA-N |
| PubChem CID | 76980 |
| ChEMBL | CHEMBL3185308 |
| EC No. | 222-359-4 |
| DTXSID | DTXSID7044922 |
| Lokaler Name | 1-(2-Hydroxyethyl)pyrrolidin-2-on |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 114 |
| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Compounds |
| Physical Description | Melting point = 20 deg C[ChemIDplus] Clear dark brown viscous liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 19-21°C |
| Siedepunkt | 140-142 °C/3 mmHg (lit.) |
| Dichte | 1.143 g/mL at 25 °C (lit.) |
| Dampfdruck | 0.02Pa at 20℃ |
| Brechungsindex | n20/D 1.496(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | 14.49±0.10(Predicted) |
| Farbe | White or Colorles to Yellow to Orange |
| Löslichkeit | 1000g/L at 20℃ |
| BRN | 112181 |
| Stabilität | Stable. Incompatible with strong oxidizing agents |
| InChI | 1S/C6H11NO2/c8-5-4-7-3-1-2-6(7)9/h8H,1-5H2 |
| InChIKey | WDQFELCEOPFLCZ-UHFFFAOYSA-N |
| SMILES | OCCN1CCCC1=O |
| LogP (Verteilungskoeffizient) | -1.03 at 25℃ |
| CAS Datenbank | 3445-11-2(CAS DataBase Reference) |
| NIST chemische Informationen | N-(2-Hydroxyethyl)-2-pyrrolidone(3445-11-2) |
| EPA chemische Informationen | 2-Pyrrolidinone, 1-(2-hydroxyethyl)- (3445-11-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 82.2% (189 of 230) of all reports.WarningH315 (17.4%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 230 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Pyrrolidinone, 1-(2-hydroxyethyl)-Status: Active Update: 26-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/131792-Pyrrolidinone, 1-(2-hydroxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A mild eye irritant[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] See N-Ethyl-2-pyrrolidone and Methylpyrrolidinone. |
| Hazard Classes and Categories | Skin Irrit. 2 (17.4%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933.79.8500 |
| RTECS-Nr. | UY5776500 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-(2-Hydroxyethyl)-2-pyrrolidone may be used in chemical synthesis.