기본 정보
- 표준 SMILES
CCNC1CCCCC1- InChIKey
AGVKXDPPPSLISR-UHFFFAOYSA-N- 분자식
- C8H17N
- 평균 분자량
- 127.23 g/mol
- 단동위원소 질량
- 127.13609954
개요
Ethyl-n-cyclohexylamine appears as a clear colorless liquid with an ammonia-like odor. Floats on water and slightly soluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.
이름 및 식별자
- 우선 이름
- N-Ethyl cyclohexylamine
- IUPAC
- N-ethylcyclohexanamine
- 현지명
- N-에틸 사이클로헥실아민
- 영어명
- N-Ethylcyclohexylamine
- 분자식
- C8H17N
- 분자량
- 127.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5459-93-8- PubChem CID
- 21609
- DTXSID
DTXSID8063913- UNII
- YJK13P0H3E
- EC Number
- 226-733-8
- Nikkaji
- J23.471K
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 65
실험 및 물리화학적 성질
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
Density
0.8527 at 77 °F (USCG, 1999) - Less dense than water; will float
0.868 @ 0 °C/0 °C
Flash Point
85 °F ; 115 °F (cc) (USCG, 1999)
86 °F OC
Boiling Point
329 °F at 760 mmHg (USCG, 1999)
164 °C @ 760 MM HG
Physical Description
Ethyl-n-cyclohexylamine appears as a clear colorless liquid with an ammonia-like odor. Floats on water and slightly soluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.
Colorless clear liquid with an ammoniacal odor; [CAMEO]
물리화학적 성질
- 녹는점
- -15 °C · -15°C (estimate)
- 끓는 점
- 165 °C · 165 °C (lit.)
- 밀도
- 0.844 g/mL · 0.844 g/mL at 25 °C (lit.)
- 증기 밀도
- 4.4 · 4.4 (vs air)
- 증기압
- 2 mm · 2 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.452(lit.)
- 인화점
- 111 °F · 111 °F
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 11.16 · 11.16±0.20(Predicted)
- 색상
- 무색투명~연황색
- 폭발한계
- 7.6 % · 7.6%
- BRN
- 2070280 · 2070280
- InChI
- 1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
- InChIKey
- AGVKXDPPPSLISR-UHFFFAOYSA-N
- SMILES
- CCNC1CCCCC1
- LogP
- 1.027 at · 1.027 at 25℃ and pH7.75
- NIST
- Cyclohexanamine, N-ethyl-(5459-93-8)
- EPA
- N-Ethylcyclohexylamine (5459-93-8)
화학적 성질
Clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 212 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclohexanamine, N-ethyl-
Status: Active Update: 20-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11208
Cyclohexanamine, N-ethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
Corrosive and toxic; [Hawley] External application to rabbit eyes scored 9 on a scale of 1-10 (10 being most severe) for degree of injury after 24 hours; Emergency treatment: Irritants; [HSDB] Lung and respiratory tract irritant; [CAMEO] Vapor is irritating to eyes, nose, and throat; Liquid can burn skin and eyes; [CHRIS] A severe skin and eye irritant; [RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may result in chemical pneumonitis; [Alfa Aesar MSDS]
Reactivity Profile
ETHYL-N-CYCLOHEXYLAMINE 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. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
NFPA Hazard Classification
3 - Materials that, under emergency conditions, can cause serious or permanent injury.
3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.
0 - Materials that in themselves are normally stable, even under fire conditions.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Corrosives, Flammable agents - 3rd degree
안전 및 보호
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GX1225000
- ridadr
- UN 2734 8/PG 2
- HS 번호
- 29213000
- risk_code
- 10-20/21/22-35
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- 자연 발화 온도
- 473 °F
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3Skin Corr. 1A
- 스토리지 클래스
- 3 - Flammable liquids
- 유해 물질 데이터
- 5459-93-8(Hazardous Substances Data)
화학 및 산업
용도 및 제조
응용 분야
용도N-Ethylcyclohexylamine can be used in the synthesis of a series of isatin-N-Mannich bases.
일반 설명A clear colorless liquid with an ammonia-like odor. Floats on water and slightly soluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.
제조 방법
생산 방법N-Ethylcyclohexylamine is produced by hydrogenation of ethylaniline at 180 ℃ and 6 MPa or by amination of cyclohexanone under hydrogenation conditions in the presence of ethylamine. The amine is a starting material for the preplant sugar beet, grass, and spinach herbicide cycloate (Zeneca's Ro-Neet), which is obtained by converting N-ethylcyclohexylamine into S-ethyl-N-ethyl-N-cyclohexylthiocarbamate. A minor use of N-ethylcyclohexylamine is for vulcanization accelerators.
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