Skip to Content
Merck
CN
All Photos(1)

Documents

8.41873

Sigma-Aldrich

tert-Butyl ethyl ether

for synthesis

Sign Into View Organizational & Contract Pricing
All Photos(1)
Synonym(s):
tert-Butyl ethyl ether
Empirical Formula (Hill Notation):
C6H14O
CAS Number:
637-92-3
Molecular Weight:
102.17
MDL number:
MFCD00009225
UNSPSC Code:
12352112
EC Index Number:
211-309-7
NACRES:
NA.22

vapor pressure

173 hPa ( 25 °C)

Quality Level

200

Assay

≥95.0% (GC)

form

liquid

potency

>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

transition temp

flash point -19 °C

solubility

12 g/L

density

0.74 g/cm3 at 20 °C

storage temp.

2-30°C

InChI

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

InChI key

NUMQCACRALPSHD-UHFFFAOYSA-N

Application

  • 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).

Analysis Note

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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225 - H336

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

Target Organs

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service