N-에틸 사이클로헥실아민
N-에틸사이클로헥실아민 · N-에틸 사이클로헥실아민 · N-Ethylcyclohexanamine · Ethylcyclohexylamine · NECHA · Nsc6272 · vulkacithx · Vulkacit HX
식별자 및 물리적 특성
| CAS No. | 5459-93-8 |
|---|---|
| 분자식 | C8H17N |
| 평균 분자량 | 127.23 g/mol |
| 단동위원소 질량 | 127.13609954 g/mol |
| SMILES | CCNC1CCCCC1 |
| InChIKey | AGVKXDPPPSLISR-UHFFFAOYSA-N |
| PubChem CID | 21609 |
| EC No. | 226-733-8 |
| DTXSID | DTXSID8063913 |
| 현지명 | N-에틸 사이클로헥실아민 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 12 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 65 |
| 물질 분류 | Nitrogen Compounds -> Amines, AliphaticCorrosives |
| 밀도 | 0.8527 at 77 °F (USCG, 1999) - Less dense than waterwill float0.868 @ 0 °C/0 °C0.844 g/mL at 25 °C (lit.) |
| 용해도 | SLIGHTLY SOL IN WATERSOL IN ALL PROP IN ALCOHOL, ETHER |
| 인화점 | 85 °F115 °F (cc) (USCG, 1999)86 °F OC111 °F |
| 끓는 점 | 329 °F at 760 mmHg (USCG, 1999)164 °C @ 760 MM HG165 °C (lit.) |
| 녹는점 | -49 °F (USCG, 1999)-15°C (estimate) |
| 증기 밀도 | 4.4 (AIR= 1)4.4 (vs air) |
| 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] |
| 자연 발화 온도 | 545 °F (USCG, 1999) |
| 증기압 | 2 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.452(lit.) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 11.16±0.20(Predicted) |
| 색상 | 무색투명~연황색 |
| 폭발한계 | 7.6% |
| BRN | 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(분배 계수) | 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 | DangerH226 (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. |
|---|---|
| 규제 정보 | Chemical: Cyclohexanamine, N-ethyl-Status: Active Update: 20-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11208Cyclohexanamine, 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.) |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Behavior in Fire: Dangerous when exposed to heat or flame. Can react vigorously with oxidizing materials. (USCG, 1999) |
| 화재 가능성 | DANGEROUS, WHEN EXPOSED TO HEAT, FLAME, OR OXIDIZERS |
| 건강 유해성 | Inhalation of high concentration of vapor will produce irritation of the respiratory tract and lungs. Inhalation of large quantities of vapor may be fatal. (USCG, 1999) |
| 유해성 요약 | 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 hoursEmergency treatment: Irritants[HSDB] Lung and respiratory tract irritant[CAMEO] Vapor is irritating to eyes, nose, and throatLiquid 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 tractInhalation may result in chemical pneumonitis[Alfa Aesar MSDS] |
용도
용도
N-Ethylcyclohexylamine can be used in the synthesis of a series of isatin-N-Mannich bases.
일반 설명
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.
제조 및 합성 방법
생산 방법
N-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.