基本情報
- CAS
342573-75-5- 標準SMILES
CCOS(=O)(=O)[O-].CCn1cc[n+](C)c1- InChIKey
VRFOKYHDLYBVAL-UHFFFAOYSA-M- 分子式
- C6H11N2.C2H5O4S
- 平均分子量
- 236.29 g/mol
- 単同位体質量
- 236.08307817
名称と識別子
- 優先名称
- 1-Ethyl-3-methylimidazolium ethylsulfate
- IUPAC
- 1-ethyl-3-methylimidazol-3-ium;ethyl sulfate
- 現地名
- 1-エチル-3-メチルイミダゾリウムエチルスルファート
- 英語名
- 1-ETHYL-3-METHYLIMIDAZOLIUM ETHYL SULFATE
- 分子式
- C8H16N2O4S
- 分子量
- 236.29
名称と別名
名称をさらに表示
データベース識別子
- CAS
342573-75-5- PubChem CID
- 12095229
- DTXSID
DTXSID6049274- ChEMBL
CHEMBL3183527- UNII
- 502J88S67B
- EC Number
- 460-100-9、608-962-9
物性
構造計算による物性
- 極性表面積
- 83.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 177
実験および物理化学的性質
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
物理化学的性質
- 融点
- 65 °C · <65°C
- 比重(密度)
- 1.24 · 1.24
- 蒸気圧
- 7.1 Pa · 7.1Pa at 20℃
- 屈折率
- 20 · n20/D 1.481
- 闪点
- 162 °C · 162 °C
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 外見
- 液体
- 色
- 無色
- 水溶解度
- 水およびアルコールと混和する。
- InChI
- InChI=1S/C6H11N2.C2H6O4S/c1-3-8-5-4-7(2)6-8;1-2-6-7(3,4)5/h4-6H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
- InChIKey
- VRFOKYHDLYBVAL-UHFFFAOYSA-M
- SMILES
- S(OCC)(=O)(=O)[O-].[N+]1(C)C=CN(CC)C=1
- EPAの化学物質情報
- 1 H-Imidazolium, · 1H-Imidazolium, 3-ethyl-1-methyl-, ethyl sulfate (1:1) (342573-75-5)
化学的性質
化学的特性Light yellow liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (108 of 108) of all reports.
Not Classified
Aggregated GHS information provided per 108 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.
Warning
H315 (62.5%): Causes skin irritation [Warning Skin corrosion/irritation]
危険有害性情報
Regulatory Information
Chemical: 1H-Imidazolium, 3-ethyl-1-methyl-, ethyl sulfate (1:1)
1H-Imidazolium, 3-ethyl-1-methyl-, ethyl sulfate (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazolium, 3-ethyl-1-methyl-, ethyl sulfate (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 1-Ethyl-3-methylimidazolium ethylsulfate (EC: 460-100-9)
Hazard Classes and Categories
Skin Irrit. 2 (62.5%)
Not Classified
安全データ
- F
- 3-10
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29332900
- risk_code
- 36/37/38
- 消防法
- 危-4-3-III
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Carc. 1BEye Irrit. 2Muta. 1BSkin Irrit. 2
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1H-Imidazolium, 3-ethyl-1-methyl-, ethyl sulfate (1:1): ACTIVE
応用分野
使用1-Ethyl-3-methylimidazolium ethyl sulfate is an ionic liquid having free form chloride used as an alternative to the corresponding halide salts in metathesis reactions to prepare other ionic liquids including 1-butyl-3-methylimidazolium hexafluorophosphate. It is also utilized in the study of layering and shear properties of ionic liquid between nano-films and mica surfaces.
一般的な説明1-Ethyl-3-methylimidazolium ethyl sulfate is a water-miscible, aprotic room temperature ionic liquid (RTIL). It can be prepared by reacting 1-methylimidazole with diethyl sulfate.
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
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