기본 정보
- 표준 SMILES
CCc1cccc(C)c1N- InChIKey
JJVKJJNCIILLRP-UHFFFAOYSA-N- 분자식
- C9H13N
- 평균 분자량
- 135.21 g/mol
- 단동위원소 질량
- 135.10479942
이름 및 식별자
- 우선 이름
- 2-Ethyl-6-methylaniline
- IUPAC
- 2-ethyl-6-methylaniline
- 현지명
- 메틸-6-에틸아닐린
- 영어명
- 6-Ethyl-o-toluidine
- 분자식
- C9H13N
- 분자량
- 135.21
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
24549-06-2- PubChem CID
- 32485
- DTXSID
DTXSID7027833- ChEMBL
CHEMBL3187754- UNII
- 32Y3271G51
- EC Number
- 246-309-6
- Nikkaji
- J3.796F
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 101
실험 및 물리화학적 성질
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
물리화학적 성질
- 녹는점
- -33 °C · -33 °C (lit.)
- 끓는 점
- 231 °C · 231 °C (lit.)
- 밀도
- 0.968 g/mL · 0.968 g/mL at 25 °C (lit.)
- 증기압
- 0.06 mm · 0.06 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.552(lit.)
- 인화점
- 193 °F · 193 °F
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 2.66 g/L · 2.66g/L
- 산도 계수 (pKa)
- 4.22 · 4.22±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- 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
- NIST
- 2 · Benzenamine, 2-ethyl-6-methyl-(24549-06-2)
- EPA
- 2 · 2-Ethyl-6-methylaniline (24549-06-2)
화학적 성질
Liquid
안전 및 규제
GHS 분류
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.
유해성 정보
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.
안전 및 보호
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)
독성 정보
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
규제 정보
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
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BY5600000
- ridadr
- 2810
- 독성
- 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.
- HS 번호
- 29214980
- risk_code
- 22-20/21/22-26-22/23-10
- hazard_code
- Xn
- safety_code
- 24/25-23-3/14
- F 고인화성물질
- 8-23
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzenamine, 2-ethyl-6-methyl-: ACTIVE
응용 분야
용도2-Ethyl-6-methylaniline is an intermediate for the production of alachlor, butachlor, metolachlor-herbicides, tiafentiurone-insecticide, carbodiimide and RIM-PUR Product Data Sheet
일반 설명A clear liquid with a pungent odor. Water insoluble and less dense than water. Hence floats on water.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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