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2-Ethyl-6-methyl-anilin
MEA · 2-ETHYL-6-METHYLANILINE · 2-METHYL-6-ETHYLANILINE · 6-Ethyl-2-methylaniline · 3-ethyl-2-methylaniline · 2-ethyl-6-methyl-benzenamin · 2-Ethyl-6-methylbenzenamine · Benzenamine, 2-ethyl-6-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 24549-06-2 |
|---|---|
| Summenformel | C9H13N |
| Durchschnittliche Molmasse | 135,21 g/mol |
| Monoisotopische Masse | 135,10479942 g/mol |
| SMILES | CCc1cccc(C)c1N |
| InChIKey | JJVKJJNCIILLRP-UHFFFAOYSA-N |
| PubChem CID | 32485 |
| ChEMBL | CHEMBL3187754 |
| EC No. | 246-309-6 |
| DTXSID | DTXSID7027833 |
| Lokaler Name | 2-Ethyl-6-methyl-anilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 101 |
| Dichte | 0.969 at 68 °F (USCG, 1999) - Less dense than waterwill float0.968 g/mL at 25 °C (lit.) |
| Flammpunkt | 215 °F (USCG, 1999)193 °F |
| Siedepunkt | 447.8 °F at 760 mmHg (USCG, 1999)231 °C (lit.) |
| Schmelzpunkt | -27.4 °F (USCG, 1999)-33 °C (lit.) |
| Physical Description | 2-methyl-6-ethyl aniline appears as a clear liquid with a pungent odor. Water insoluble and less dense than water. Hence floats on water. (USCG, 1999) |
| Kovats Retention Index | 1217.7 |
| Dampfdruck | 0.06 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.552(lit.) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | 2.66g/l |
| pKa (Säurekonstante) | 4.22±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light red to Green |
| BRN | 2079468 |
| Henry-Konstante | 3.2×100 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3 |
| InChIKey | JJVKJJNCIILLRP-UHFFFAOYSA-N |
| SMILES | CCc1cccc(C)c1N |
| LogP (Verteilungskoeffizient) | 2.66 |
| CAS Datenbank | 24549-06-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2-ethyl-6-methyl-(24549-06-2) |
| EPA chemische Informationen | 2-Ethyl-6-methylaniline (24549-06-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312+H332 (27.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (59.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]H331 (36.8%): Toxic if inhaled [Danger Acute toxicity, inhalation]H332 (55.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]H412 (59.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 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 | Chemical: Benzenamine, 2-ethyl-6-methyl-Benzenamine, 2-ethyl-6-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2-ethyl-6-methyl- 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: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12644 |
| Brandgefahren | Special Hazards of Combustion Products: Contain poisonous oxides of nitrogen and carbon dioxide.Behavior in Fire: Produces poisonous gases. (USCG, 1999) |
| Gesundheitsgefahren | Inhalation causes weakness, reduction in respiratory rate, coma, gradual respiratory failure, and mild cyanosis (high concentrations). Causes severe irritation of the eyes. Ingestion may produce cyanosis. (USCG, 1999) |
| Reaktive Gruppe | Amines, Aromatic |
| Reactivity Profile | 2-METHYL-6-ETHYL ANILINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute Tox. 4 (59.4%)Acute Tox. 3 (36.8%)Acute Tox. 4 (55.7%)Aquatic Chronic 3 (59.4%) |
| Brandbekämpfung | Fire Extinguishing Agents: Water, dry chemical, foam, carbon dioxide. (USCG, 1999) |
| Erste Hilfe | INHALATION: Remove to fresh aircall a physician.EYES: Flush eyes with plenty of running water for at least 15 minutes. Call a physician.SKIN: Wash thoroughly with soap and water. Flush with running water for at least 15 minutes.INGESTION: If victim is conscious, have victim drink water or milk and induce vomiting. (USCG, 1999) |
| Personal Protective Equipment (PPE) | Chemical goggles - face shield, protective gloves, organic vapor canister mask. (USCG, 1999) |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | 2-Ethyl-6-methylanilinePesticide degradation productSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
| F | 8-23 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29214980 |
| RTECS-Nr. | BY5600000 |
| R-Sätze (R) | 22-20/21/22-26-22/23-10 |
| Toxizität | mouse,LD50,oral,930mg/kg (930mg/kg),BEHAVIORAL: MUSCLE WEAKNESSAUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETICBEHAVIORAL: ATAXIA,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(6), Pg. 85, 1987. |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-23-3/14 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3 |
Anwendungen & Verwendung
Verwenden
2-Ethyl-6-methylaniline is an intermediate for the production of alachlor, butachlor, metolachlor-herbicides, tiafentiurone-insecticide, carbodiimide and RIM-PUR Product Data Sheet