8.41873

tert-Butyl ethyl ether

for synthesis

• 동의어(들): tert-Butyl ethyl ether
• 실험식(Hill 표기법): C₆H₁₄O
• CAS Number: 637-92-3
• Molecular Weight: 102.17
• MDL number: MFCD00009225
• UNSPSC 코드: 12352112
• EC 인덱스 번호: 211-309-7
• NACRES: NA.22

속성

• vapor pressure: 173 hPa ( 25 °C)
• Quality Level: 200
• 분석: ≥95.0% (GC)
• 형태: liquid
• 효능: >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
• 전이 온도: flash point -19 °C
• solubility: 12 g/L
• density: 0.74 g/cm³ at 20 °C
• 저장 온도: 2-30°C
• InChI: 1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3
• InChI key: NUMQCACRALPSHD-UHFFFAOYSA-N

설명

애플리케이션

• 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).

분석 메모

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

안전성 정보

• 픽토그램: GHS02,GHS07
• 신호어: Danger
• 유해 및 위험 성명서: H225 - H336
• 예방조치 성명서: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 2 - STOT SE 3
• 표적 기관: Central nervous system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point (°F): -2.2 °F - closed cup
• Flash Point (°C): -19 °C - closed cup