Tert-butyl 2-sulfanylacetate

Basic Information

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CAS Number

20291-99-0

Molecular Formula

C6H12O2S

Molecular Weight

148.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)CS

InChI

InChI=1S/C6H12O2S/c1-6(2,3)8-5(7)4-9/h9H,4H2,1-3H3

InChIKey

YXIMCNGUIIEJMO-UHFFFAOYSA-N

LogP

1.2578999999999998

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

104

Synonyms & References

English

Acetic acid, mercapto-, 1,1-dimethylethyl ester
t-butyl 2-mercaptoacetate
BS-13182
tert-butyl2-mercaptoacetate
Mercapto-acetic acid tert-butyl ester
20291-99-0
MFCD25960778
thioglycolic acid tert-butyl ester
YXIMCNGUIIEJMO-UHFFFAOYSA-N
Tert-butyl 2-sulfanylacetate
t-Butyl 2-sulfanylacetate
SY034444
EN300-139188
AKOS037648471
tert-butyl thioglycolate
2-Methyl-2-propanyl sulfanylacetate
tert-butyl 2-mercaptoacetate
DTXSID301347658
SCHEMBL1186918
1,1-dimethylethyl mercaptoacetate

MDL Number

MFCD25960778

FAQ

What regulatory guidelines apply to Tert-butyl 2-sulfanylacetate (CAS: 20291-99-0)?

Tert-butyl 2-sulfanylacetate (CAS: 20291-99-0) falls under the scope of the REACH regulation in the European Union, requiring manufacturers and importers to register the substance if it is manufactured or imported above one tonne per year. It is also classified and labeled according to GHS standards, which may include hazards such as flammable, harmful, or toxic. Additionally, it is subject to FDA and EPA regulations in the United States, particularly when used in pharmaceutical or agricultural applications.

Are there alternatives to Tert-butyl 2-sulfanylacetate (CAS: 20291-99-0) in synthesis?

There are several alternatives to Tert-butyl 2-sulfanylacetate (CAS: 20291-99-0) that can be used in synthesis, including tert-amyl 2-sulfanylacetate and 2-methylbutyl 2-sulfanylacetate. These alternatives may offer similar functional groups but with different substituents, providing flexibility in chemical synthesis. Other substitutes include related thiols and sulfonic acids that can serve as precursors in similar reactions.

What is the market or research trend for Tert-butyl 2-sulfanylacetate (CAS: 20291-99-0)?

The market for Tert-butyl 2-sulfanylacetate (CAS: 20291-99-0) is growing due to its use in pharmaceuticals, agrochemicals, and organic synthesis. Research trends are shifting towards the development of more sustainable and environmentally friendly synthesis methods, as well as the exploration of its applications in advanced materials and functional polymers. Price trends are stable, with demand driven by increasing industrial and academic interest.

How should waste containing Tert-butyl 2-sulfanylacetate (CAS: 20291-99-0) be handled?

Waste containing Tert-butyl 2-sulfanylacetate (CAS: 20291-99-0) should be collected in appropriate sealed containers and stored in a well-ventilated area, away from sources of ignition. It should be disposed of through a professional waste disposal service that specializes in hazardous chemicals. Environmental protection measures include proper containment to prevent leaks and spills, and adherence to local and national waste disposal regulations to ensure safety and compliance. Safe incineration is an option, provided it is conducted in an appropriately equipped facility with proper air pollution control measures.