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3-Diethylaminophenol
DEMAP · 3-Hydroxy-N,N-diethylaniline · DIETHYL META AMINO PHENOL · diethylaminophenol · N,N-DIETHYL-3-AMINOPHENOL · N,N-Diethyl-3-hydroxyaniline · 3-DiethyL · JACS-91-68-9
Identifikatoren & physikalische Daten
| CAS No. | 91-68-9 |
|---|---|
| Summenformel | C10H15NO |
| Durchschnittliche Molmasse | 165,23 g/mol |
| Monoisotopische Masse | 165,1153641 g/mol |
| SMILES | CCN(CC)c1cccc(O)c1 |
| InChIKey | WAVOOWVINKGEHS-UHFFFAOYSA-N |
| PubChem CID | 7062 |
| ChEMBL | CHEMBL1420719 |
| EC No. | 202-090-9 |
| DTXSID | DTXSID9025037 |
| Lokaler Name | 3-Diethylaminophenol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 123 |
| Löslichkeit | less than 1 mg/mL at 68.9 °F (NTP, 1992)4.087g/L in organic solvents at 20 ℃<0.1 g/100 mL at 20.5 ºC |
| Siedepunkt | 529 to 536 °F at 760 mmHg (NTP, 1992)170 °C/15 mmHg (lit.) |
| Schmelzpunkt | 149 to 172 °F (NTP, 1992)69-72 °C (lit.) |
| Physical Description | 3-diethylaminophenol is a black solid. (NTP, 1992)[CAMEO] Crystalline solid[Sigma-Aldrich MSDS] |
| Dichte | 1.0203 (rough estimate) |
| Dampfdruck | 0.345Pa at 25℃ |
| Brechungsindex | 1.4820 (estimate) |
| Flammpunkt | 141 °C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Flakes or Granules |
| pKa (Säurekonstante) | 10.08±0.10(Predicted) |
| Farbe | Gray-brown to rose or red |
| BRN | 908212 |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| InChI | 1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3 |
| InChIKey | WAVOOWVINKGEHS-UHFFFAOYSA-N |
| SMILES | CCN(CC)c1cccc(O)c1 |
| LogP (Verteilungskoeffizient) | 0.929 at 23℃ |
| CAS Datenbank | 91-68-9(CAS DataBase Reference) |
| NIST chemische Informationen | Phenol, 3-(diethylamino)-(91-68-9) |
| EPA chemische Informationen | m-(Diethylamino)phenol (91-68-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (72.5%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (26.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (26.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (25.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (71.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 160 reports by companies from 8 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 | Status: Active Update: 30-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12506Status: Cease Manufacture Update: 07-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11189 |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: This compound may cause irritation on contact. (NTP, 1992) |
| Gefahrenübersicht | Not a skin or eye irritant in rabbitsNot sensitizing in skin painting study of guinea pigsMethemoglobinemia observed in oral study of cats[IUCLID] A skin and strong eye irritantProlonged or repeated exposure may cause eye injury[Sigma-Aldrich MSDS] |
| Reaktive Gruppe | Amines, Phosphines, and PyridinesPhenols and Cresols |
| Reactivity Profile | An amine and phenol. 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. Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 3 (72.5%)Skin Irrit. 2 (26.9%)Eye Irrit. 2A (26.9%)STOT SE 3 (25.6%)Aquatic Chronic 2 (71.9%) |
| Brandbekämpfung | Fires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 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.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992) |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992) |
| Isolation and Evacuation | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024) |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2512 6.1/PG 3 |
| Zollcode | 29222900 |
| RTECS-Nr. | SL0550500 |
| R-Sätze (R) | 25-36/37/38 |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 36/37/39-45-22-26-36-24/25 |
| Gefahrenklasse | 6.1Acute Tox. 3 Oral |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3-Diethylaminophenol is used as a reagent in the synthesis of coumarin- and rhodamine-fused deep red fluorescent dyes.