2-(N-ethyl-m-toluidino)ethanol (HCID 7067)

概要

2-(n-ethyl-n-m-toluidino)ethanol is an aminotoluene.

名称と識別子

優先名称: 2-(N-ethyl-m-toluidino)ethanol
IUPAC: 2-(N-ethyl-3-methylanilino)ethanol
現地名: N-エチル-N-2-ヒドロキシエチル-m-トルイジン
英語名: 2-(N-Ethyl-m-toluidino)ethanol
分子式: C11H17NO
分子量: 179.26

名称と別名

91-88-32-(N-Ethyl-m-toluidino)ethanolEmery 5714N-Ethyl-N-(2-hydroxyethyl)-m-toluidineEthanol, 2-[ethyl(3-methylphenyl)amino]-ETHANOL, 2-(N-ETHYL-m-TOLUIDINO)-N-Ethyl-N-hydroxyethyl-meta-toluidineN-Hydroxyethyl-N-ethyl-m-toluidineEINECS 202-105-9NSC 89746DTXSID3021801Ethanol, 2-(ethyl(3-methylphenyl)amino)-

名称をさらに表示

N-エチル-N-2-ヒドロキシエチル-m-トルイジン2-(N-エチル-m-トルイジノ)エタノール2-(N-エチル-3-メチルアニリノ)エタノール2-[エチル(3-メチルフェニル)アミノ]エタノールN-エチル-N-(2-ヒドロキシエチル)-m-トルイジンＮエチルＮ２ヒドロキシエチルｍトルイジンemery57142-(N-Ethyl-m-toluidiHYDROXYETHYLETHYLTOLUIDINE2-(ethyl(m-tolyl)amino)ethanol2-(n-ethyl-m-toluidino)-ethano2-(n-ethyl-n-m-toluidino)ethanol2-(Ethyl-3-methylanilino)ethanol

1ALR5X8R8W2-[ethyl(3-methylphenyl)amino]ethanolBRN 2091653NSC-89746DTXCID1018014-12-00-01819 (Beilstein Handbook Reference)N-ethyl-N-(beta-hydroxyethyl)-m-toluidinen-ethyl-n-(.beta.-hydroxyethyl)-m-toluidine

データベース識別子

CAS: 91-88-3
PubChem CID: 7067
DTXSID: DTXSID3021801
ChEMBL: CHEMBL3182607
ChEBI: CHEBI:190982
UNII: 1ALR5X8R8W
EC Number: 202-105-9
Nikkaji: J31.139A

物性

構造計算による物性

XLogP: 2.5
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: 13
形式電荷: 0
複雑度: 138

実験および物理化学的性質

Collision Cross Section140.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3021801]

物理化学的性質

融点: -19 °C · -19 °C
沸点: 114 · 114-115 °C/1 mmHg (lit.)
比重(密度): 1.019 g/mL · 1.019 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.555(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to lump to clear liquid
酸解離定数(Pka): 14.67 · 14.67±0.10(Predicted)
色: White or Colorless to Yellow to Orange
水溶解度: 不溶性
InChI: InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3
InChIKey: KRNUKKZDGDAWBF-UHFFFAOYSA-N
SMILES: C(O)CN(CC)C1=CC=CC(C)=C1
CAS データベース: 91 · 91-88-3(CAS DataBase Reference)
NISTの化学物質情報: 2 · Ethanol, 2-[ethyl(3-methylphenyl)amino]-(91-88-3)
EPAの化学物質情報: 2 · 2-(N-Ethyl-m-toluidino)ethanol (91-88-3)

化学的性質

化学的特性clear yellow to green liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (48.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Ethanol, 2-[ethyl(3-methylphenyl)amino]-

Ethanol, 2-ethyl(3-methylphenyl)amino-: 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.

Hazard Classes and CategoriesAcute Tox. 3 (48.1%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: KL1320000
hs_code: 2922190090
risk_code: 22-41-36/37/38
化審法: (3)-203
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 26-39-37/39
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationEthanol, 2-[ethyl(3-methylphenyl)amino]-: ACTIVE

応用分野 · 1 件

使用A 2-(N-Ethyl-m-toluidino)ethanol pigment system and lipoprotein lipase are used as a new glycerol oxidase determination method for serum triglyceride. 2-(N-Ethyl-m-toluidino)ethanol is also used in quantitative structure–activity relationship (QSAR) models that are developed to predict the aquatic toxicity of chemicals to the fathead minnow (Pimephales promelas).