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Ethoxyessigsure
2-Ethoxyacetic acid · Ethoxyacetic · 2-ethoxyacetate · ethoxy-aceticaci · Ethylglycolicacid · ETHOXYACETIC ACID · Ethoxyethanoicacid · Aceticacid,ethoxy-
Identifikatoren & physikalische Daten
| CAS No. | 627-03-2 |
|---|---|
| Summenformel | C4H8O3 |
| Durchschnittliche Molmasse | 104,1 g/mol |
| Monoisotopische Masse | 104,04734412 g/mol |
| SMILES | CCOCC(=O)O |
| InChIKey | YZGQDNOIGFBYKF-UHFFFAOYSA-N |
| PubChem CID | 12301 |
| ChEMBL | CHEMBL1159929 |
| ChEBI | CHEBI:173365 |
| EC No. | 210-978-2 |
| DTXSID | DTXSID7031294 |
| Lokaler Name | Ethoxyessigsure |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 60 |
| Stoffklassen | Other Classes -> Other Organic Compounds |
| SpringerMaterials Properties | Boiling point |
| Dichte | 1.1021 at 68 °F (NTP, 1992) - Denser than waterwill sink1.102 g/mL at 25 °C (lit.) |
| Löslichkeit | Soluble (NTP, 1992)Chloroform (Slightly), Methanol (Slightly) |
| Flammpunkt | 208 °F (NTP, 1992) |
| Siedepunkt | 403 to 405 °F at 760 mmHg (NTP, 1992)97-100 °C/11 mmHg (lit.) |
| Physical Description | Ethoxyacetic acid is a liquid. (NTP, 1992)[CAMEO] |
| Brechungsindex | n20/D 1.419(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 3.65(at 18℃) |
| Farbe | Clear colorless to light yellow |
| BRN | 1743037 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6) |
| InChIKey | YZGQDNOIGFBYKF-UHFFFAOYSA-N |
| SMILES | CCOCC(O)=O |
| CAS Datenbank | 627-03-2(CAS DataBase Reference) |
| NIST chemische Informationen | Acetic acid, ethoxy-(627-03-2) |
| EPA chemische Informationen | Ethoxyacetic acid (627-03-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (65.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, 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 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, ethoxy-Ethoxyacetic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: This compound is corrosive. (NTP, 1992) |
| Gefahrenübersicht | Corrosive to skin and eyes[eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] |
| Reaktive Gruppe | Acids, Carboxylic |
| Reactivity Profile | An ether and organic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in waterthose with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. |
Anwendungen & Verwendung
Verwenden
Ethoxyacetic acid is used to evaluate toxicity in embryonic stem cell test in mice. It finds application as a biomarker of exposure to alkyl-substituted ethylene glycols and other aliphatic ethers. It is used as a precursor to prepare ethoxy-acetic acid ethoxymethyl ester.