4-Methoxy-2-methyl-2-butanethiol

Basic Information

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CAS Number

94087-83-9

Molecular Formula

C6H14OS

Molecular Weight

134.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

159.1±23.0 ºC (760 Torr),

Density

0.915 g/mL at 20 °C

Refractive Index

n20/D 1.451

SMILES

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COCCC(C)(C)S

InChI

InChI=1S/C6H14OS/c1-6(2,8)4-5-7-3/h8H,4-5H2,1-3H3

InChIKey

XVHGKKGBUDMTIQ-UHFFFAOYSA-N

LogP

1.7313

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Synonyms & References

English

2-Butanethiol,4-methoxy-2-methyl-
4-Methoxy-2-methyl-2-butanethiol
4-methoxy-2-methylbutane-2-thiol
2-Butanethiol,4-methoxy-2-methyl
4-Methoxy-2-methyl-2-mercaptobutane
EINECS 301-977-9
UNII-X72J2YFL9Y
2-Mercapto-4-methoxy-2-methylbutane
4-Methoxy-2-methyl-2-butanethiol (ACI)

MDL Number

MFCD08437076

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 4-Methoxy-2-methyl-2-butanethiol (CAS: 94087-83-9)?

4-Methoxy-2-methyl-2-butanethiol (CAS: 94087-83-9) falls under the GHS classification as a flammable liquid and is subject to REACH regulations. In the U.S., it is also regulated by the FDA and EPA for safety and environmental protection. Specific handling, storage, and disposal requirements must be followed based on these guidelines.

Are there alternatives to 4-Methoxy-2-methyl-2-butanethiol (CAS: 94087-83-9) in synthesis?

While 4-Methoxy-2-methyl-2-butanethiol (CAS: 94087-83-9) is a specific thiol, alternatives include other thiol derivatives such as 2-methyl-2-butanethiol and related compounds. In some cases, substituted alcohols or other functional groups can serve as substitutes depending on the specific application.

What is the market or research trend for 4-Methoxy-2-methyl-2-butanethiol (CAS: 94087-83-9)?

The market for 4-Methoxy-2-methyl-2-butanethiol (CAS: 94087-83-9) is primarily focused on its use as a precursor in the synthesis of other chemicals and materials. Research trends indicate increasing interest in its use for flavorings and as a reagent in organic synthesis, with ongoing developments in its applications in pharmaceuticals and cosmetics.

How should waste containing 4-Methoxy-2-methyl-2-butanethiol (CAS: 94087-83-9) be handled?

Waste containing 4-Methoxy-2-methyl-2-butanethiol (CAS: 94087-83-9) should be collected in appropriate containers and stored separately. It should be disposed of through a professional waste disposal service that adheres to local and international regulations. Environmental protection measures should include proper ventilation and safety precautions to prevent exposure and fire hazards during handling and disposal.