HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Ethoxybenzoesure
O-ETHOXYBENZOIC ACID · AKOS BBB/251 · 2-Ethoxybenzoic · 2-ethoxybenzoate · 2-Ethromycin acid · RARECHEM AL BO 0030 · 2-ethoxy-benzoicaci · 2'-Carboxyphenetole
Identifikatoren & physikalische Daten
| CAS No. | 134-11-2 |
|---|---|
| Summenformel | C9H10O3 |
| Durchschnittliche Molmasse | 166,17 g/mol |
| Monoisotopische Masse | 166,06299418 g/mol |
| SMILES | CCOc1ccccc1C(=O)O |
| InChIKey | XDZMPRGFOOFSBL-UHFFFAOYSA-N |
| PubChem CID | 67252 |
| ChEMBL | CHEMBL4303266 |
| EC No. | 205-130-3 |
| DTXSID | DTXSID3059638 |
| Lokaler Name | 2-Ethoxybenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 156 |
| Schmelzpunkt | 19.3-19.5 °C (lit.) |
| Siedepunkt | 174-176 °C/15 mmHg (lit.) |
| Dichte | 1.105 g/mL at 25 °C (lit.) |
| Dampfdruck | 0.281Pa at 25℃ |
| Brechungsindex | n20/D 1.54(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | 95% ethanol: soluble5%, clear, colorless to yellowSoluble in water. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | pK1:4.21 (20°C) |
| Wichte | 1.105 |
| Farbe | White or Colorless to Light yellow to Light orange |
| BRN | 2691039 |
| InChI | 1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11) |
| InChIKey | XDZMPRGFOOFSBL-UHFFFAOYSA-N |
| SMILES | CCOc1ccccc1C(O)=O |
| LogP (Verteilungskoeffizient) | 1.295 at 25℃ |
| CAS Datenbank | 134-11-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoic acid, 2-ethoxy-(134-11-2) |
| EPA chemische Informationen | Benzoic acid, 2-ethoxy- (134-11-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (78.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 14 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoic acid, 2-ethoxy-Status: Active Update: 13-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18884Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32828Benzoic acid, 2-ethoxy-: 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. |
| Hazard Classes and Categories | Acute Tox. 4 (28.6%)Skin Irrit. 2 (78.6%)Eye Irrit. 2A (100%)STOT SE 3 (42.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29189900 |
| R-Sätze (R) | 36/37/38-26-22 |
| Gefahrensymbole | Xi,T |
Anwendungen & Verwendung
Verwenden
2-Ethoxybenzoic acid is used in thermally induced solvent-free reactions of triphenylbismuth with a series of thiols and carboxylic acids. It serves as an active component of dental cement. Further, it prevents the entry of root-canal pathogens into periapical regions.