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2,2'-[Ethylenbis(oxy)]bisessigsure
2,2'-(Ethane-1,2-diylbis(oxy))diacetic acid · DOODA · PEG2-(CH2CO2H)2 · 3,6-Dioxasuberic acid · HOOCCH2O-PEG1-CH2COOH · 3, 6-dioxyoctaneic acid · 3,6-dioxoctanedioic acid · 3,6-Dioxaoctandioic acid
![Molekülstruktur von 2,2'-[Ethylenbis(oxy)]bisessigsure](/img/chemical/90039.png)
Identifikatoren & physikalische Daten
| CAS No. | 23243-68-7 |
|---|---|
| Summenformel | C6H10O6 |
| Durchschnittliche Molmasse | 178,14 g/mol |
| Monoisotopische Masse | 178,04773803 g/mol |
| SMILES | O=C(O)COCCOCC(=O)O |
| InChIKey | CQWXKASOCUAEOW-UHFFFAOYSA-N |
| PubChem CID | 90039 |
| EC No. | 245-516-9 |
| DTXSID | DTXSID50177817 |
| Lokaler Name | 2,2'-[Ethylenbis(oxy)]bisessigsure |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 93,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 68-71℃ |
| Siedepunkt | 429.2±25.0 °C(Predicted) |
| Dichte | 1.375 |
| Dampfdruck | 0Pa at 20℃ |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 3.09±0.10(Predicted) |
| Aggregatzustand | solid |
| Farbe | White to off-white |
| InChI | InChI=1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
| InChIKey | CQWXKASOCUAEOW-UHFFFAOYSA-N |
| SMILES | C(OCC(O)=O)COCC(O)=O |
| LogP (Verteilungskoeffizient) | -2.29 at 25℃ |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H332 (14.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, 2,2'-[1,2-ethanediylbis(oxy)]bis-REACH registered substance: 2,2'-[ethylenebis(oxy)]bisacetic acid (EC: 245-516-9) |
| Hazard Classes and Categories | Acute Tox. 4 (14.3%) |
| Wassergefährdungsklasse (WGK) | WGK 1 |
| UN-Transportnummer | 3261 |
| Zollcode | 2917198090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-27-22 |
| Gefahrenklasse | 8Eye Dam. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,6-Dioxaoctanedioic Acid is a useful reagent for the preparation of degradation agents for cyclin dependent kinase.