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2-Dibutylamino-ethanol
DBAE · DIBUTYLETHANOLAMINE · N,N-DIBUTYLETHANOLAMINE · Bu2ae · 2-(DibutyL · Dibutylethanolamin · Dibutylaminoethanol · 2-Dibutyaminoethanol
Identifikatoren & physikalische Daten
| CAS No. | 102-81-8 |
|---|---|
| Summenformel | C10H23NO |
| Durchschnittliche Molmasse | 173,3 g/mol |
| Monoisotopische Masse | 173,17796436 g/mol |
| SMILES | CCCCN(CCO)CCCC |
| InChIKey | IWSZDQRGNFLMJS-UHFFFAOYSA-N |
| PubChem CID | 7621 |
| ChEMBL | CHEMBL1447214 |
| EC No. | 203-057-1 |
| DTXSID | DTXSID2024953 |
| Lokaler Name | 2-Dibutylamino-ethanol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 77,9 |
| Stoffklassen | Nitrogen Compounds -> EthanolaminesFlammable agents - 2nd degree |
| Dichte | 0.85 (NTP, 1992) - Less dense than waterwill floatRelative density (water = 1): 0.90.860.86 g/mL at 25 °C(lit.) |
| Löslichkeit | less than 1 mg/mL at 64 °F (NTP, 1992)Solubility in water at 20 °C: poor0.4%Practically insoluble in water4g/L at 20℃ |
| Flammpunkt | 210 °F (NTP, 1992)90 °C c.c.195 °F197 °F |
| Siedepunkt | 435 to 450 °F at 760 mmHg (NTP, 1992)222-232 °C446 °F229-230 °C(lit.) |
| Schmelzpunkt | -70 °C-70°C(lit.) |
| Dampfdichte | 6 (NTP, 1992) - Heavier than airwill sink (Relative to Air)Relative vapor density (air = 1): 66 (vs air) |
| Dampfdruck | 0.1 mmHg (NIOSH, 2024)0.1 [mmHg]Vapor pressure, kPa at ? °C: 3.45Pa at 20℃ |
| Physical Description | Dibutylaminoethanol is a colorless liquid with a mild fishlike odor. Flash point 200 °F. Toxic by ingestion and skin absorption. Used to make other chemicals.Colorless liquid with a faint, amine-like odor[NIOSH]COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.Colorless liquid with a faint, amine-like odor. |
| Selbstentzündungstemperatur | 165 °C |
| Brechungsindex | n20/D 1.444(lit.) |
| pKa (Säurekonstante) | 14.77±0.10(Predicted) |
| Aggregatzustand | Colorless liquid |
| Farbe | Colorless to Light orange to Yellow |
| BRN | 1738441 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | BUFFERING |
| InChI | 1S/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3 |
| InChIKey | IWSZDQRGNFLMJS-UHFFFAOYSA-N |
| SMILES | CCCCN(CCO)CCCC |
| LogP (Verteilungskoeffizient) | 1.86 at 20℃ |
| CAS Datenbank | 102-81-8(CAS DataBase Reference) |
| EPA chemische Informationen | 2-(Dibutylamino)ethanol (102-81-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 273 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Ethanol, 2-(dibutylamino)-Ethanol, 2-(dibutylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(dibutylamino)- 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: 17-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/53362-N-Dibutylaminoethanol: 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.The 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.) |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 90 °C explosive vapour/air mixtures may be formed. |
| Gesundheitsgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| Gefahrenübersicht | In animals: irritation of eyes, skin, and nosecorneal necrosisweight loss[NIOSH] Molten substance may cause severe burns[CAMEO] May be corrosive to skin and eyes based on animal results[CHEMINFO] DBAE is an irritant of the nose and eyes. Animal studies show that DBAE inhibits acetylcholinesterase. The median lethal dose in rats dying of respiratory arrest is 89.1 mg/kg. Five rats with inhalation exposures of 33 ppm 6 hours a day for 5 days had no mortality. [ACGIH] |
| DOT-Nummer und Handbuch | 2873 153 |
| Reaktive Gruppe | Alcohols and Polyols |
| UN-Einstufung | UN Hazard Class: 6.1UN Pack Group: III |
| Reactivity Profile | DIBUTYLAMINOETHANOL is an aminoalcohol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. |
| Chemical Dangers | Reacts with oxidants. Attacks many metals. This produces flammable/explosive gas (hydrogen - see ICSC 0001). Decomposes on burning. This produces nitrogen oxides. |
| Flammable Limits | Class IIIA Combustible Liquid: Fl.P. at or above 140 °F and below 200 °F. |
| Packaging and Labelling | Do not transport with food and feedstuffs. |
| Brandbekämpfung | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Use water spray, alcohol-resistant foam, dry powder, carbon dioxide. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention . |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.General First Aid:(General first aid procedures) |
| Sichere Lagerung | Separated from strong acids, oxidants, metals and food and feedstuffs. Well closed. Ventilation along the floor. |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Freisetung ohne Brand | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Verschüttetes entsorgen | Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Ventilation. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Immediate precautionary measure |
| Eye Prevention | Wear face shield. |
| Fire Prevention | NO open flames. NO contact with oxidizing agents. Above 90 °C use a closed system and ventilation. |
| Inhalation Risk | A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C. |
| Zielorgane | Eyes, skin, respiratory system |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Expositionspfade | The substance can be absorbed into the body by inhalation, through the skin and by ingestion.inhalation, skin absorption, ingestion, skin and/or eye contact |
| Signs and Symptoms | Cough. Sore throat. Nausea. Convulsions. Dizziness. Laboured breathing. Pupillary constriction, muscle cramp, excessive salivation. Sweating. Unconsciousness.MAY BE ABSORBED! Skin burns. Pain. Redness. See Inhalation.Pain. Redness. Severe deep burns.Abdominal pain. Burning sensation. Shock or collapse. Abdominal cramps. Diarrhoea. Vomiting. See Inhalation.In Animals: irritation eyes, skin, nosedermatitisskin, corneal necrosisweight loss |
| ICSC Environmental Data | The substance is harmful to aquatic organisms. |
| Berufliche Expositionsstufe (OEB) | A |
| Arbeitsplatzgrenzwert (OEL) | TWA: 2 ppm (14 mg/m3) [skin] |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2873 |
| Zollcode | 2922.19.9690 |
| RTECS-Nr. | KK3850000 |
| R-Sätze (R) | 21/22-34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1CSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-(Dibutylamino)ethanol (DBAE) may be used as a coreactant to enhance the electrochemiluminescence (ECL) of tris(2,2′-bipyridyl)ruthenium(II) [Ru(bpy)32+], employed in the ECL immunoassays and DNA probe assays. DBAE may also be used as a catalyst during the synthesis of protected D-erythro-(2S,3R)-sphingosine.