uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221584
查看IDENTITY
结构与身份
- 标准SMILES
- CCc1cccc(C)c1N
- InChIKey
- JJVKJJNCIILLRP-UHFFFAOYSA-N
- 分子式
- C9H13N
- 平均分子量
- 135.21 g/mol
- 单同位素质量
- 135.10479942
COMPUTED
结构计算性质
- XLogP
- 2.4
- 极性表面积
- 26 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 101
PROPERTIES
实验与物化性质
Density
0.969 at 68 °F (USCG, 1999) - Less dense than water; will float
Flash Point
215 °F (USCG, 1999)
Boiling Point
447.8 °F at 760 mmHg (USCG, 1999)
Melting Point
-27.4 °F (USCG, 1999)
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
Kovats Retention Index
1217.7
GHS
GHS分类
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.
HAZARDS
危害信息
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
Fire Hazards
Special Hazards of Combustion Products: Contain poisonous oxides of nitrogen and carbon dioxide.;Behavior in Fire: Produces poisonous gases. (USCG, 1999)
Health Hazards
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)
Reactive Group
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%)
SAFETY
安全与防护
Fire Fighting
Fire Extinguishing Agents: Water, dry chemical, foam, carbon dioxide. (USCG, 1999)
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)
Personal Protective Equipment (PPE)
Chemical goggles - face shield, protective gloves, organic vapor canister mask. (USCG, 1999)
TOXICITY
毒理信息
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
REGULATORY
法规信息
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
USES
用途与制造
U.S. Production
2023: 40,000,000 - <55,000,000 lb;2022: 40,000,000 - <55,000,000 lb;2021: 25,000,000 - <40,000,000 lb;2020: 40,000,000 - <55,000,000 lb
Industry Uses
Intermediate;Processing aids not otherwise specified
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzenamine, 2-ethyl-6-methyl-: ACTIVE
ALIASES
名称与别名
REACTIONS
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