2-(ジイソプロピルアミノ)エタノール

2-Diisopropylaminoethanol

HCID 7313CAS 96-80-0

基本情報

標準SMILES: CC(C)N(CCO)C(C)C
InChIKey: ZYWUVGFIXPNBDL-UHFFFAOYSA-N
分子式: C8H19NO
平均分子量: 145.24 g/mol
単同位体質量: 145.14666423

概要

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.

名称と識別子

優先名称: 2-Diisopropylaminoethanol
IUPAC: 2-[di(propan-2-yl)amino]ethanol
現地名: 2-(ジイソプロピルアミノ)エタノール
英語名: 2-Diisopropylaminoethanol
分子式: C8H19NO
分子量: 145.24

名称と別名

2-DiisopropylaminoethanolRefChem:8193002-(Diisopropylamino)ethanol96-80-0(Diisopropylamino)ethanolDiisopropylethanolamineN,N-DiisopropylethanolamineN,N-DiisopropylaminoethanolN,N-Diisopropyl ethanolamineEthanol, 2-[bis(1-methylethyl)amino]-(N,N-Diisopropylamino)ethanolEthanol, 2-(diisopropylamino)-

名称をさらに表示

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DIISOPROPYLAMINOETHANOLn,n-diisopropylDiisopropylethanolaminDI-ISO-PROPYLAMINETHANOLAcotinamide impurity c-5N,N-DIISOPROYLETHANOAMINEEthanol, diisopropylamino-N,N-diisopropylethanoaMine

2-(Diisopropylamino)ethyl alcohol2-[di(propan-2-yl)amino]ethanolNSC 454752-[Bis(Propan-2-Yl)Amino]Ethan-1-OlDTXSID6021822DK7FND4TJZMonoethanoldiisopropylamine2-Diisopropylamino-ethanol

データベース識別子

CAS: 96-80-0
PubChem CID: 7313
DTXSID: DTXSID6021822
ChEMBL: CHEMBL122184
UNII: DK7FND4TJZ
EC Number: 202-536-2
Nikkaji: J34.788D

物性

構造計算による物性

XLogP: 1.2
極性表面積: 23.5 Å²
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

実験および物理化学的性質

Chemical ClassesCorrosives

SpringerMaterials PropertiesOptical coefficient

Density0.826 @25 °C

Flash Point175 °F (NFPA, 2010)

Boiling Point190 °C @760 [mm Hg]

Physical DescriptionN,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.

物理化学的性質

融点: -39 °C · -39 °C
沸点: 187 · 187-192 °C(lit.)
比重(密度): 0.826 g/mL · 0.826 g/mL at 25 °C(lit.)
蒸気密度: 5 · 5 (vs air)
蒸気圧: 1 mm · <1 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.442(lit.)
闪点: 158 °F · 158 °F
貯蔵温度: Refrigerator, under inert atmosphere
溶解性: クロロホルム（可溶）、メタノール（微量）
外見: 油
酸解離定数(Pka): 14.75 · 14.75±0.10(Predicted)
色: 薄黄色～黄色
BRN: 1697955 · 1697955
Henry's Law Constant: 2.2 · 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 · 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: 2 · Ethanol, 2-[bis(1-methylethyl)amino]- (96-80-0)

化学的性質

化学的特性colourless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (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.

危険有害性情報

Regulatory Information · 4 件

Chemical: Ethanol, 2-[bis(1-methylethyl)amino]-

Status: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21097

Ethanol, 2-bis(1-methylethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard

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.)

DOT LabelCorrosive

Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Reactive GroupAlcohols and Polyols

Reactivity Profile · 1 件

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.

安全と保護具

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Protective Action Criteria (PAC) · 3 件

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)]:

安全データ

F: 9-23
wgk: 2
tsca: TSCA listed
rtecs: KK5950000
ridadr: UN 2922 8/PG 2
risk_code: 20/22-24-34
化審法: (2)-353
消防法: 危-4-3-III
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 3.2
packing_group: III

化学と産業

用途と製造

General Manufacturing InformationEthanol, 2-[bis(1-methylethyl)amino]-: ACTIVE

応用分野

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.