Cas no 6163-66-2 (di-tert-butyl ether)

Di-tert-butyl ether (DTBE) is a branched ether with the chemical formula C8H18O. It is characterized by its high thermal stability and low polarity, making it a useful solvent in organic synthesis and specialty applications. DTBE exhibits excellent resistance to oxidation and acid-catalyzed decomposition, which enhances its utility in reactions requiring inert conditions. Its relatively low boiling point (107–108°C) and volatility facilitate easy removal post-reaction. Additionally, DTBE's sterically hindered structure minimizes unwanted side reactions, such as ether cleavage, improving selectivity in synthetic processes. These properties make it a preferred choice for demanding laboratory and industrial applications where stability and purity are critical.
di-tert-butyl ether structure
di-tert-butyl ether structure
Product Name:di-tert-butyl ether
CAS No:6163-66-2
MF:C8H18O
MW:130.227922916412
MDL:MFCD00623577
CID:864098
Update Time:2025-10-07

di-tert-butyl ether Chemical and Physical Properties

Names and Identifiers

    • di-tert-butyl ether
    • 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
    • methylisopropyl ether
    • t-butyl ether
    • tert-Butyl ether
    • tert-butyl tert-butyl ether
    • MDL: MFCD00623577
    • Inchi: 1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3
    • InChI Key: AQEFLFZSWDEAIP-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(C)(C)C

Computed Properties

  • Exact Mass: 130.13600
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2

Experimental Properties

  • Density: d420 0.7658
  • Melting Point: -78.15°C
  • Boiling Point: 106°C
  • Refractive Index: nD20 1.3949
  • PSA: 9.23000
  • LogP: 2.60000

di-tert-butyl ether Security Information

  • Hazardous Material transportation number:UN 3271
  • Hazard Category Code: 10-36/37/38
  • Safety Instruction: 16-26-36

di-tert-butyl ether Customs Data

  • HS CODE:2909199090
  • Customs Data:

    China Customs Code:

    2909199090

    Overview:

    2909199090. Other acyclic ethers and their halogenated derivatives(Including sulfonation,Nitrosative or nitrosative derivatives). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909199090. other acyclic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

di-tert-butyl ether Pricemore >>

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Additional information on di-tert-butyl ether

Di-Tert-Butyl Ether: A Comprehensive Overview

Di-tert-butyl ether, also known by its CAS registry number CAS No. 6163-66-2, is a chemical compound with the molecular formula C12H24O. This compound is a type of ether, specifically a dialkyl ether, where two tert-butyl groups are connected via an oxygen atom. The structure of di-tert-butyl ether consists of two bulky tert-butyl groups attached to an oxygen atom, making it a highly branched and sterically hindered molecule.

The synthesis of di-tert-butyl ether is typically achieved through the reaction of tert-butanol with itself in the presence of an acid catalyst, such as sulfuric acid or p-toluenesulfonic acid. This reaction is an example of an acid-catalyzed dehydration process, where two molecules of tert-butanol lose a water molecule to form the ether. The steric hindrance around the oxygen atom in di-tert-butyl ether makes it less reactive compared to less hindered ethers, which can influence its chemical behavior in various applications.

Di-tert-butyl ether has a boiling point of approximately 105°C (221°F) and a melting point around -48°C (-54°F). Its density is about 0.79 g/cm3, making it less dense than water. These physical properties make it suitable for use in certain industrial and chemical applications where moderate volatility and low density are desirable.

In terms of chemical properties, di-tert-butyl ether is relatively stable under normal conditions due to the steric hindrance around the oxygen atom, which reduces its susceptibility to nucleophilic substitution reactions. However, under specific conditions such as high temperatures or in the presence of strong bases or acids, it can undergo cleavage reactions to regenerate tert-butanol or other products depending on the reaction conditions.

Di-Tert-butyl Ether has found applications in various fields, including organic synthesis, as a solvent in certain industrial processes, and as an intermediate in the production of other chemicals. Its steric bulk can make it useful in reactions where steric hindrance is beneficial for controlling selectivity or reaction pathways.

Recent research has explored the use of di-tert-butyl ether in advanced materials science and catalysis. For instance, studies have investigated its role as a precursor in the synthesis of mesoporous materials and its potential as a ligand in transition metal catalysis due to its ability to stabilize certain metal complexes through steric effects.

In environmental chemistry, there has been interest in understanding the fate and degradation pathways of di-tert-butyl ether in natural environments. Research indicates that under aerobic conditions, this compound can undergo microbial degradation, although the rate may vary depending on environmental factors such as temperature and microbial community composition.

The handling and storage of di-tetrahydrofuran should adhere to standard laboratory practices to ensure safety and efficiency. Its relatively low toxicity makes it suitable for use in applications where human exposure is minimal or controlled.

In conclusion, di-tetrahydrofuran remains an important compound in both academic research and industrial applications due to its unique chemical properties and versatility across various fields.

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