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2-(ジイソプロピルアミノ)エタノール
2-(ジイソプロピルアミノ)エタノール · N-(2-ヒドロキシエチル)ジイソプロピルアミン · N,N-ジイソプロピルエタノールアミン · 2-ジイソプロピルアミノエタノール · ジイソプロピルエタノールアミン · 2-[ビス(プロパン-2-イル)アミノ]エタン-1-オール · N,N-ｼﾞ-i-ﾌﾟﾛﾋﾟﾙｱﾐﾉｴﾀﾝ-2-ｵｰﾙ · DIISOPROPYLAMINOETHANOL
識別子と物理属性
| CAS No. | 96-80-0 |
|---|---|
| 分子式 | C8H19NO |
| 平均分子量 | 145.24 g/mol |
| 単同位体質量 | 145.14666423 g/mol |
| SMILES | CC(C)N(CCO)C(C)C |
| InChIKey | ZYWUVGFIXPNBDL-UHFFFAOYSA-N |
| PubChem CID | 7313 |
| ChEMBL | CHEMBL122184 |
| EC No. | 202-536-2 |
| DTXSID | DTXSID6021822 |
| 現地名 | 2-(ジイソプロピルアミノ)エタノール |
化学・物理的性質
| XLogP | 1.2 |
|---|---|
| 極性表面積 | 23.5 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 4 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 73.3 |
| 物質分類 | Corrosives |
| SpringerMaterials Properties | Optical coefficient |
| 密度 | 0.826 @25 °C0.826 g/mL at 25 °C(lit.) |
| 引火点 | 175 °F (NFPA, 2010)158 °F |
| 沸点 | 190 °C @760 [mm Hg]187-192 °C(lit.) |
| Physical Description | N,n-diisopropyl ethanolamine appears as a colorless liquid. Slightly soluble in water and less dense than water. Severely irritates skin and eyes. Used to make other chemicals. |
| 融点 | -39 °C |
| 蒸気密度 | 5 (vs air) |
| 蒸気圧 | <1 mm Hg ( 20 °C) |
| 屈折率 | n20/D 1.442(lit.) |
| 貯蔵条件 | Refrigerator, under inert atmosphere |
| 溶解度 | クロロホルム（可溶）、メタノール（微量） |
| 外観・状態 | 油 |
| pKa（酸解離定数） | 14.75±0.10(Predicted) |
| 色 | 薄黄色～黄色 |
| BRN | 1697955 |
| ヘンリー定数 | 2.2×100 mol/(m3Pa) at 25℃, Du et al. (2017) |
| 安定性 | 安定。酸、強力な酸化剤と相容れない。 |
| InChIKey | ZYWUVGFIXPNBDL-UHFFFAOYSA-N |
| CAS データベース | 96-80-0(CAS DataBase Reference) |
| NISTの化学物質情報 | (Diisopropylamino)ethanol(96-80-0) |
| EPAの化学物質情報 | Ethanol, 2-[bis(1-methylethyl)amino]- (96-80-0) |
化学的特性
colourless to slightly yellow liquid
安全性と法規制
| GHS 分類 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 182 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-[bis(1-methylethyl)amino]-Status: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21097Ethanol, 2-bis(1-methylethyl)amino-: Does not have an individual approval but may be used under an appropriate group standardThe 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.) |
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| 健康有害性 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| 反応性グループ | Alcohols and Polyols |
| Reactivity Profile | N,N-DIISOPROPYL ETHANOLAMINE is an amino alcohol. 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 is generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Slightly soluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Corrosives, Flammable agents - 2nd degree |
| 消火 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| 応急処置 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| 非火災時の漏出対応 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Protective Action Criteria (PAC) | 1.5 [mg/m3]17 [mg/m3]99 [mg/m3] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| F | 9-23 |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | KK5950000 |
| 輸送番号（UN） | UN 2922 8/PG 2 |
| 危険文句（R） | 20/22-24-34 |
| 化審法 | (2)-353 |
| 消防法 | 危-4-3-III |
| 危険表示 | T |
| 安全措置（S） | 26-36/37/39-45 |
| 危険等級 | 3.2 |
| 包装等級 | III |
用途
使用
2-(Diisopropylamino)ethanol is used in method for preparing Fluvardiol catalyzed by carbonyl reductase.
一般的な説明
A colorless liquid. Slightly soluble in water and less dense than water. Severely irritates skin and eyes. Flash point 175°F. Used to make other chemicals.