HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Oxydi(essigsure)
2,2'-Oxydiacetic acid · DigL · 2,2'diglycolic · Diglycolicaci · oxodiaceticacid · oxydi-aceticaci · DIGLYCOLIC ACID · Oxodiacetic acid
Identifikatoren & physikalische Daten
| CAS No. | 110-99-6 |
|---|---|
| Summenformel | C4H6O5 |
| Durchschnittliche Molmasse | 134,09 g/mol |
| Monoisotopische Masse | 134,02152329 g/mol |
| SMILES | O=C(O)COCC(=O)O |
| InChIKey | QEVGZEDELICMKH-UHFFFAOYSA-N |
| PubChem CID | 8088 |
| ChEMBL | CHEMBL1234950 |
| ChEBI | CHEBI:169983 |
| EC No. | 203-823-5 |
| DTXSID | DTXSID4041575 |
| Lokaler Name | Oxydi(essigsure) |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 104 |
| Stoffklassen | Other Classes -> Other Organic Compounds |
| Schmelzpunkt | 148 °C140-144 °C (lit.) |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Powder[Alfa Aesar MSDS] |
| Siedepunkt | 167.16°C (rough estimate) |
| Dichte | 1.486 |
| Brechungsindex | 1.4000 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | ethanol: soluble5%, clear to slightly hazy, colorless to greenish-yellow |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | pK1:2.96 (25°C) |
| Farbe | White to light beige |
| BRN | 1072117 |
| InChI | 1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
| InChIKey | QEVGZEDELICMKH-UHFFFAOYSA-N |
| SMILES | OC(=O)COCC(O)=O |
| CAS Datenbank | 110-99-6(CAS DataBase Reference) |
| NIST chemische Informationen | Diglycolic acid(110-99-6) |
| EPA chemische Informationen | Acetic acid, 2,2'-oxybis- (110-99-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.6% (1 of 161) of reports.WarningH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 161 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, 2,2'-oxybis-Acetic acid, 2,2'-oxybis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | A skin and strong eye irritantToxic by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%) |
| Protective Action Criteria (PAC) | 1.5 [mg/m3]17 [mg/m3]99 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29171900 |
| RTECS-Nr. | AJ1530000 |
| R-Sätze (R) | 22-36/37/38-34 |
| Toxizität | LD50 orl-rat: 500 mg/kg ACIEAY 14,94,75 |
| Gefahrensymbole | Xn,C |
| Sicherheitshinweise (S) | 26-36-45-36/37/39 |
| Gefahrenklasse | 8Acute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Diglycolic acid was used in the preparation of needle-like aragonite particles from calcium nitrate aqueous solutions.