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Merck
CN
所有图片(1)

文件

8.41873

Sigma-Aldrich

tert-Butyl ethyl ether

for synthesis

别名:

tert-Butyl ethyl ether

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About This Item

经验公式(希尔记法):
C6H14O
CAS号:
分子量:
102.17
MDL编号:
UNSPSC代码:
12352112
EC索引号:
211-309-7
NACRES:
NA.22

蒸汽压

173 hPa ( 25 °C)

质量水平

检测方案

≥95.0% (GC)

形式

liquid

效能

>2000 mg/kg LD50, oral (Rat)
>2000 mg/kg LD50, skin (Rabbit)

expl. lim.

1.23-7.7 % (v/v)

bp

71 °C/1013 hPa

mp

-97 °C

转变温度

flash point -19 °C

溶解性

12 g/L

密度

0.74 g/cm3 at 20 °C

储存温度

2-30°C

InChI

1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3

InChI key

NUMQCACRALPSHD-UHFFFAOYSA-N

应用

  • Quantitative structure-property relationship modeling: tert-Butyl ethyl ether is used in physiologically based kinetic modeling, showcasing its role in quantitative structure-property relationship (QSPR) studies and Monte Carlo simulations, which are crucial for predicting the behavior of chemicals in biological systems (Yamada et al., 2022).
  • Automatic monitoring of VOCs: It is utilized in the development of an in-source helical membrane inlet with single photon ionization time-of-flight mass spectrometry, enhancing the automatic monitoring of trace volatile organic compounds in water, significant for environmental monitoring and safety (Li et al., 2019).
  • Pharmacokinetic and toxicological research: The ether serves as a subject in the development and application of rat physiologically based pharmacokinetic (PBPK) models to elucidate kidney and liver effects induced by ethyl tert-butyl ether and tert-butanol, offering valuable insights into its safety and physiological impacts (Chiu et al., 2015).
  • Environmental monitoring: It is also featured in research focusing on the determination of fuel ethers in water by membrane extraction ion mobility spectrometry, providing an efficient method for environmental monitoring of this compound in aquatic systems (Sillanpää et al., 2013).
  • Exposure assessment: Research includes exposure assessment studies of ethyl tert-butyl ether among gas station workers and gasoline tanker truck drivers, emphasizing the importance of occupational safety and health standards in industries using this chemical (Omae et al., 2011).

分析说明

Assay (GC, area%): ≥ 95.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.737 - 0.744
Identity (IR): passes test

象形图

FlameExclamation mark

警示用语:

Danger

危险声明

危险分类

Flam. Liq. 2 - STOT SE 3

靶器官

Central nervous system

储存分类代码

3 - Flammable liquids

WGK

WGK 1

闪点(°F)

-2.2 °F - closed cup

闪点(°C)

-19 °C - closed cup


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