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Ethylenbis(oxyethylennitrilo)tetraessigsure
EGTA · EGTAZIC ACID · Ethylene Glyc · 1,2-bis(2-dicarboxymethylaminoethoxy)ethane · ethylenedioxybis(ethyleneamino)tetraaceticacid · AEGT · GEDTA · GIETA
Identifikatoren & physikalische Daten
| CAS No. | 67-42-5 |
|---|---|
| Summenformel | C14H24N2O10 |
| Durchschnittliche Molmasse | 380,35 g/mol |
| Monoisotopische Masse | 380,14309497 g/mol |
| SMILES | O=C(O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O |
| InChIKey | DEFVIWRASFVYLL-UHFFFAOYSA-N |
| PubChem CID | 6207 |
| ChEMBL | CHEMBL240390 |
| ChEBI | CHEBI:30740 |
| EC No. | 200-651-2 |
| DTXSID | DTXSID2045151 |
| Lokaler Name | Ethylenbis(oxyethylennitrilo)tetraessigsure |
Chemische & physikalische Eigenschaften
| XLogP | -6,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 174 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 17 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 397 |
| Stoffklassen | Other Uses -> Chelating Agents |
| Physical Description | White powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 241 °C (dec.)(lit.) |
| Siedepunkt | 507.99°C (rough estimate) |
| Dichte | 1.2838 (rough estimate) |
| Brechungsindex | 1.4590 (estimate) |
| Lagerbedingungen | room temp |
| Löslichkeit | 0.1 M NaOH: 0.1 M at 20 °C, clear, colorlessslightly soluble |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 1.47±0.10(Predicted) |
| Farbe | White |
| Biologische Quelle | synthetic (organic) |
| Merck | 14,3529 |
| BRN | 1717370 |
| InChI | 1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24) |
| InChIKey | DEFVIWRASFVYLL-UHFFFAOYSA-N |
| SMILES | OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O |
| CAS Datenbank | 67-42-5(CAS DataBase Reference) |
| EPA chemische Informationen | Ethylenebis(oxyethylenenitrilo)tetraacetic acid (67-42-5) |
| Absorption | cut-off at 263nm in 1 M NaOH at 0.1M |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 83.3% (10 of 12) of all reports.WarningH315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 12 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 6,9-Dioxa-3,12-diazatetradecanedioic acid, 3,12-bis(carboxymethyl)-EGTA: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See Edetic acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (16.7%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29225000 |
| RTECS-Nr. | AH3760000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 orally in Rabbit: 3587 mg/kg |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Pharmaceutic aid. EGTA.