8.41873

tert-Butyl ethyl ether

for synthesis

• 别名: tert-Butyl ethyl ether
• 经验公式（希尔记法）: C₆H₁₄O
• CAS号: 637-92-3
• 分子量: 102.17
• MDL號碼: MFCD00009225
• 分類程式碼代碼: 12352112
• 酶委員會索引編號: 211-309-7
• NACRES: NA.22

属性

• 蒸汽壓力: 173 hPa ( 25 °C)
• 品質等級: 200
• 化驗: ≥95.0% (GC)
• 形狀: liquid
• 效力: >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
• 轉變溫度: flash point -19 °C
• 溶解度: 12 g/L
• 密度: 0.74 g/cm³ at 20 °C
• 儲存溫度: 2-30°C
• InChI: 1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3
• InChI 密鑰: NUMQCACRALPSHD-UHFFFAOYSA-N

说明

應用

• 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).

分析報告

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

安全信息

• 象形圖: GHS02,GHS07
• 訊號詞: Danger
• 危險聲明: H225 - H336
• 防範說明: P210 - P233 - P240 - P241 - P242 - P243
• 危險分類: Flam. Liq. 2 - STOT SE 3
• 標靶器官: Central nervous system
• 儲存類別代碼: 3 - Flammable liquids
• 水污染物質分類（WGK）: WGK 1
• 閃點（°F）: -2.2 °F - closed cup
• 閃點（°C）: -19 °C - closed cup