化工社化工社 化学情報印刷レポート · 研究参考用
N-エチルジエタノールアミン
N-エチルジエタノールアミン · エチルジエタノールアミン · Ｎエチルジエタノルアミン · 2,2'-エチルイミノジエタノール · N,N-ビス(2-ヒドロキシエチル)エチルアミン · N‐エチルジエタノールアミン · N-エチル-2,2'-イミノジエタノ-ル · 2,2'-ETHYLIMINODIETHANOL
識別子と物理属性
| CAS No. | 139-87-7 |
|---|---|
| 分子式 | C6H15NO2 |
| 平均分子量 | 133.19 g/mol |
| 単同位体質量 | 133.11027872 g/mol |
| SMILES | CCN(CCO)CCO |
| InChIKey | AKNUHUCEWALCOI-UHFFFAOYSA-N |
| PubChem CID | 8769 |
| ChEMBL | CHEMBL3185566 |
| ChEBI | CHEBI:132187 |
| EC No. | 205-379-8 |
| DTXSID | DTXSID8041955 |
| 現地名 | N-エチルジエタノールアミン |
化学・物理的性質
| XLogP | 0.1 |
|---|---|
| 極性表面積 | 43.7 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 5 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 53 |
| 物質分類 | Nitrogen Compounds -> EthanolaminesIndustrial compound |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 臭い | Amine odor |
| 密度 | 1.0135 g/cu cm at 20 °C1.014 g/mL at 25 °C(lit.) |
| Color/Form | Water-white liquidYellow liquid |
| 溶解度 | Very soluble in ethanolslightly soluble in ethyl etherIn water, 1X10+6 mg/L at 25 °C (miscible) |
| 引火点 | 208 °F (138 °C) (Open cup)255 °F |
| 沸点 | 247 degc C246-252 °C(lit.) |
| 融点 | -50 °C−50 °C(lit.) |
| 蒸気圧 | 0.00245 [mmHg] |
| 屈折率 | Index of refraction: 1.4663 at 20 °Cn20/D 1.4665(lit.) |
| Physical Description | This is a chemical weapon precursor or chemical weapon impurity which is similar to methyldiethanolamine. See the chemical datasheet for methyldiethanolamine for more information.Water-white or yellow liquid with an amine odor[HSDB] Light yellow liquid[Sigma-Aldrich MSDS] |
| pKa（酸解離定数） | 14.40±0.10(Predicted) |
| ヘンリー定数 | 9.0×104 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChIKey | AKNUHUCEWALCOI-UHFFFAOYSA-N |
| CAS データベース | 139-87-7(CAS DataBase Reference) |
| EPAの化学物質情報 | Ethyl diethanolamine (139-87-7) |
化学的特性
clear colorless liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 20.1% (37 of 184) of reports.DangerH315 (20.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 184 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Ethanol, 2,2'-(ethylimino)bis- |
| その他の安全情報 | IMAP assessments - Ethanol, 2,2'-(ethylimino)bis-: Environment tier I assessment |
| 有害性の概要 | A skin and strong eye irritant[Sigma-Aldrich MSDS] See Diethanolamine. |
| 反応性グループ | Alcohols and Polyols |
| Special Reports | Organization for the Prohibition of Chemical WeaponsConvention on the Prohibition of the Development, Production, Stockpiling and Use of Chemical Weapons and Their Destruction. Available from http://www.opcw.org as of November 12, 2008. The Chemical Weapons Convention (CWC) is an international treaty which bans the development, production, stockpiling, and transfer or use of chemical weapons. The Convention mandates the destruction and prohibition of chemical weapons and related facilities and provides for restrictions on international trade in toxic chemicals and precursors. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| NFPA Hazard Classification | 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.0 - Materials that in themselves are normally stable, even under fire conditions. |
| Hazard Classes and Categories | Skin Irrit. 2 (20.7%) |
| DHS Chemicals of Interest (COI) |
用途
使用
Solvent, detergents.