HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(N-Ethyl-m-toluidino)ethanol
emery5714 · Emery 5714 · 2-(N-Ethyl-m-toluidi · HYDROXYETHYLETHYLTOLUIDINE · 2-(N-ETHYL-M-TOLUIDINO)ETHANOL · 2-(ethyl(m-tolyl)amino)ethanol · 2-(n-ethyl-m-toluidino)-ethano · 2-(n-ethyl-n-m-toluidino)ethanol
Identifikatoren & physikalische Daten
| CAS No. | 91-88-3 |
|---|---|
| Summenformel | C11H17NO |
| Durchschnittliche Molmasse | 179,26 g/mol |
| Monoisotopische Masse | 179,13101416 g/mol |
| SMILES | CCN(CCO)c1cccc(C)c1 |
| InChIKey | KRNUKKZDGDAWBF-UHFFFAOYSA-N |
| PubChem CID | 7067 |
| ChEMBL | CHEMBL3182607 |
| ChEBI | CHEBI:190982 |
| EC No. | 202-105-9 |
| DTXSID | DTXSID3021801 |
| Lokaler Name | 2-(N-Ethyl-m-toluidino)ethanol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 138 |
| Collision Cross Section | 140.6 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3021801] |
| Schmelzpunkt | -19 °C |
| Siedepunkt | 114-115 °C/1 mmHg (lit.) |
| Dichte | 1.019 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.555(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | 14.67±0.10(Predicted) |
| Farbe | White or Colorless to Yellow to Orange |
| Löslichkeit | insoluble |
| InChI | InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3 |
| InChIKey | KRNUKKZDGDAWBF-UHFFFAOYSA-N |
| SMILES | C(O)CN(CC)C1=CC=CC(C)=C1 |
| CAS Datenbank | 91-88-3(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanol, 2-[ethyl(3-methylphenyl)amino]-(91-88-3) |
| EPA chemische Informationen | 2-(N-Ethyl-m-toluidino)ethanol (91-88-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (48.1%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 77 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanol, 2-[ethyl(3-methylphenyl)amino]-Ethanol, 2-ethyl(3-methylphenyl)amino-: 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. 3 (48.1%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2922190090 |
| RTECS-Nr. | KL1320000 |
| R-Sätze (R) | 22-41-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
A 2-(N-Ethyl-m-toluidino)ethanol pigment system and lipoprotein lipase are used as a new glycerol oxidase determination method for serum triglyceride. 2-(N-Ethyl-m-toluidino)ethanol is also used in quantitative structure–activity relationship (QSAR) models that are developed to predict the aquatic toxicity of chemicals to the fathead minnow (Pimephales promelas).