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2-(Diethylamino)ethanol
DEAE · DEEA · DIETHYLETHANOLAMINE · 2-DIETHYLAMINOETHANOL · N,N-DIETHYLETHANOLAMINE · N,N-Diethyl-2-aminoethanol · 1-(diethylamino)ethanol · N,N-Diethylaminoethanol

Identifikatoren & physikalische Daten
| CAS No. | 100-37-8 |
|---|---|
| Summenformel | C6H15NO |
| Durchschnittliche Molmasse | 117,19 g/mol |
| Monoisotopische Masse | 117,1153641 g/mol |
| SMILES | CCN(CC)CCO |
| InChIKey | BFSVOASYOCHEOV-UHFFFAOYSA-N |
| PubChem CID | 7497 |
| ChEMBL | CHEMBL1183 |
| ChEBI | CHEBI:52153 |
| EC No. | 202-845-2 |
| DTXSID | DTXSID5021837 |
| Lokaler Name | 2-(Diethylamino)ethanol |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 43,8 |
| Stoffklassen | Nitrogen Compounds -> EthanolaminesFlammable agents - 2nd degreeIndustrial compound |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 0.46 |
| Geruch | NAUSEATING ODORNauseating, ammonia-like odor. |
| Lebensmittelzusatzstoffe | BOILER WATER ADDITIVE -> FDA Substance added to food |
| Dichte | 0.8921 at 77 °F (USCG, 1999) - Less dense than waterwill float0.8921 @ 20 °C/4 °CRelative density (water = 1): 0.880.8851 @ 20°C0.884 g/mL at 25 °C (lit.) |
| Viscosity | 5 mPa-s at 20 °C |
| Color/Form | COLORLESS LIQUIDColorless liquid. |
| Löslichkeit | Very soluble (NTP, 1992)SOL IN ALL PROPORTIONS IN WATERSOL IN ALC, ETHER, ACETONE, BENZENE, PETROLEUM ETHER1000000 mg/L @ 25 °C (exp)Solubility in water: miscible |
| Flammpunkt | 140 °F (NTP, 1992)49 °C140 °F (OPEN CUP)125 °F (closed cup)52 °C c.c.120 °F |
| Siedepunkt | 325 °F at 760 mmHg (NTP, 1992)163 °C @ 760 MM HG163.00 °C. @ 760.00 mm Hg162 °C @760 [mm Hg]161 °C (lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Schmelzpunkt | -70 °C |
| Dampfdichte | 4.04 (vs air) |
| Dampfdruck | 1 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.441(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 14.74±0.10(Predicted) |
| Farbe | White to pale yellow |
| Geruch | Characteristic ammoniacal odor |
| pH | 11.5 (100g/l, H2O, 20℃) |
| Explosionsgrenze | 0.7%(V) |
| Merck | 14,3112 |
| BRN | 741863 |
| Henry-Konstante | 5.9×100 mol/(m3Pa) at 25℃, Du et al. (2017) |
| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents, acids. Moisture sensitive. Hygroscopic. |
| Kosmetik-Inhaltsstoffe Funktionen | BUFFERING |
| InChI | 1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3 |
| InChIKey | BFSVOASYOCHEOV-UHFFFAOYSA-N |
| SMILES | N(CCO)(CC)CC |
| LogP (Verteilungskoeffizient) | 0.21 at 23℃ |
| Oberflächenspannung | 27.99mN/m at 293.15K |
| CAS Datenbank | 100-37-8(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanol, 2-(diethylamino)-(100-37-8) |
| EPA chemische Informationen | Diethylaminoethanol (100-37-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P234, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: Ethanol, 2-(diethylamino)-Ethanol, 2-(diethylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(diethylamino)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 10-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21342-Diethylaminoethanol: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Weitere Sicherheitsinformationen | IMAP assessments - Ethanol, 2-(diethylamino)-: Human health tier II assessment |
| DOT-Kennzeichnung | Corrosive Flammable Liquid |
| Brandgefahren | Special Hazards of Combustion Products: Toxic and irritating gases may be generated.· Flammable/combustible material.Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 52 °C explosive vapour/air mixtures may be formed. |
| Brandpotenzial | Flammablemoderate fire hazard |
| Gesundheitsgefahren |
Anwendungen & Verwendung
Verwenden
Water-soluble salts; textile softeners; antirust formulations; fatty acid derivatives; pharmaceuticals; curing agent for resins; emulsifying agents in acid media; organic synthesis.