Grundinformationen
- Standard-SMILES
CCc1cccc(C)c1N- InChIKey
JJVKJJNCIILLRP-UHFFFAOYSA-N- Summenformel
- C9H13N
- Durchschnittliche Molmasse
- 135,21 g/mol
- Monoisotopische Masse
- 135,10479942
Namen und Bezeichner
- Bevorzugter Name
- 2-Ethyl-6-methylaniline
- IUPAC
- 2-ethyl-6-methylaniline
- Lokaler Name
- 2-Ethyl-6-methyl-anilin
- Englischer Name
- 6-Ethyl-o-toluidine
- Summenformel
- C9H13N
- Molmasse
- 135.21
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
24549-06-2- PubChem CID
- 32485
- DTXSID
DTXSID7027833- ChEMBL
CHEMBL3187754- UNII
- 32Y3271G51
- EC Number
- 246-309-6
- Nikkaji
- J3.796F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 101
Experimentelle und physikochemische Eigenschaften
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)
Liquid
Physikochemische Eigenschaften
- Schmelzpunkt
- -33 °C · -33 °C (lit.)
- Siedepunkt
- 231 °C · 231 °C (lit.)
- Dichte
- 0.968 g/mL · 0.968 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.06 mm · 0.06 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.552(lit.)
- Flammpunkt
- 193 °F · 193 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- 2.66 g/l · 2.66g/l
- pka
- 4.22 · 4.22±0.10(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light red to Green
- BRN
- 2079468 · 2079468
- Henry's Law Constant
- 3.2 · 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
- 2.66 · 2.66
- CAS Datenbank
- 24549 · 24549-06-2(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzenamine, 2-ethyl-6-methyl-(24549-06-2)
- EPA chemische Informationen
- 2 · 2-Ethyl-6-methylaniline (24549-06-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302+H312+H332 (27.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute 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.
Gefahrenhinweise
Regulatory Information
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
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.
Sicherheit und Schutzausrüstung
First Aid
INHALATION: Remove to fresh air; call 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)
Toxikologische Informationen
USGS Health-Based Screening Levels for Evaluating Water-Quality
2-Ethyl-6-methylaniline
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Regulatorische Informationen
Regulatory Information
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
Sicherheitsdaten
- F
- 8-23
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29214980
- RTECS-Nr.
- BY5600000
- risk_code
- 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.
- hazard_code
- Xn
- safety_code
- 24/25-23-3/14
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzenamine, 2-ethyl-6-methyl-: ACTIVE
Anwendungen
Verwenden2-Ethyl-6-methylaniline is an intermediate for the production of alachlor, butachlor, metolachlor-herbicides, tiafentiurone-insecticide, carbodiimide and RIM-PUR Product Data Sheet
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