基本情報
- 標準SMILES
CCNC1CCCCC1- InChIKey
AGVKXDPPPSLISR-UHFFFAOYSA-N- 分子式
- C8H17N
- 平均分子量
- 127.23 g/mol
- 単同位体質量
- 127.13609954
概要
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.
名称と識別子
- 優先名称
- N-Ethyl cyclohexylamine
- IUPAC
- N-ethylcyclohexanamine
- 現地名
- N-エチルシクロヘキシルアミン
- 英語名
- N-Ethylcyclohexylamine
- 分子式
- C8H17N
- 分子量
- 127.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
5459-93-8- PubChem CID
- 21609
- DTXSID
DTXSID8063913- UNII
- YJK13P0H3E
- EC Number
- 226-733-8
- Nikkaji
- J23.471K
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 12 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 65
実験および物理化学的性質
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]
物理化学的性質
- 融点
- -15 °C · -15°C (estimate)
- 沸点
- 165 °C · 165 °C (lit.)
- 比重(密度)
- 0.844 g/mL · 0.844 g/mL at 25 °C (lit.)
- 蒸気密度
- 4.4 · 4.4 (vs air)
- 蒸気圧
- 2 mm · 2 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.452(lit.)
- 闪点
- 111 °F · 111 °F
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 外見
- 液体
- 酸解離定数(Pka)
- 11.16 · 11.16±0.20(Predicted)
- 色
- 無色透明~薄黄色
- 爆発限界(explosive limit)
- 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
- CAS データベース
- 5459 · 5459-93-8(CAS DataBase Reference)
- NISTの化学物質情報
- Cyclohexanamine, N-ethyl-(5459-93-8)
- EPAの化学物質情報
- N-Ethylcyclohexylamine (5459-93-8)
化学的性質
化学的特性Clear colorless liquid
安全と法規制
GHS分類
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.
危険有害性情報
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
安全と保護具
毒性情報
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GX1225000
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29213000
- risk_code
- 10-20/21/22-35
- 消防法
- 危-4-2-III
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- 自然発火温度
- 473 °F
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3Skin Corr. 1A
- ストレージクラス
- 3 - Flammable liquids
- 有毒物質データの
- 5459-93-8(Hazardous Substances Data)
化学と産業
用途と製造
応用分野
使用N-Ethylcyclohexylamine can be used in the synthesis of a series of isatin-N-Mannich bases.
一般的な説明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.
調製方法
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.
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