3-Methyltetrahydrothiophene 1,1-dioxide

Basic Information

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CAS Number

872-93-5

Molecular Formula

C5H10O2S

Molecular Weight

134.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

0.5°C

Boiling Point

104°C/3mmHg

Density

1.20

Flash Point

154.4 °C

Refractive Index

1.4750 to 1.4790

SMILES

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CC1CCS(=O)(=O)C1

InChI

InChI=1S/C5H10O2S/c1-5-2-3-8(6,7)4-5/h5H,2-4H2,1H3

InChIKey

CMJLMPKFQPJDKP-UHFFFAOYSA-N

LogP

0.44100000000000006

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

163

Synonyms & References

English

Thiophene,tetrahydro-3-methyl-, 1,1-dioxide
3-Methylsulfolane
3-methylthiolane 1,1-dioxide
3-Methyltetrahydrothiophene 1,1-Dioxide
Thiophene, tetrahydro-3-methyl-, 1,1-dioxide
NSC77078
3-methylthiolane-1,1-dione
CMJLMPKFQPJDKP-UHFFFAOYSA-N
STL454393
7323AF
3-Methylthiacyclopentane 1,1-dioxide
FCH1112830
M0436
ST50179523
3-Methyl-1λ6-thiolane-1,1-dione
3-Methyltetrahydrothiophene 1,1-dioxide
3-Methyltetramethylene sulfone
3-Methylthiolane 1,1-dioxide
NSC 77078
Tetrahydro-3-methylthiophene S,S-dioxide

MDL Number

MFCD00005487

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 3-Methyltetrahydrothiophene 1,1-dioxide (CAS: 872-93-5)?

3-Methyltetrahydrothiophene 1,1-dioxide (CAS: 872-93-5) is regulated under various guidelines. Globally, it is classified according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication labels and safety data sheets. In the European Union, it must comply with REACH regulations for registration, evaluation, authorization, and restriction of chemicals. For FDA and EPA requirements in the United States, it is managed under the Toxic Substance Control Act (TSCA).

Are there alternatives to 3-Methyltetrahydrothiophene 1,1-dioxide in synthesis?

Several alternatives to 3-Methyltetrahydrothiophene 1,1-dioxide can be used in synthesis. Common substitutes include 4-Methyltetrahydrothiophene 1,1-dioxide, and other thioether compounds. Isomers and analogs like 2-Methyltetrahydrothiophene 1,1-dioxide can also serve as viable alternatives in specific reaction conditions.

What is the market or research trend for 3-Methyltetrahydrothiophene 1,1-dioxide (CAS: 872-93-5)?

The market for 3-Methyltetrahydrothiophene 1,1-dioxide (CAS: 872-93-5) is driven by its use as a sulfonating agent in the production of plasticizers and dyes. Research trends are focused on exploring its applications in renewable energy, particularly in the development of advanced battery cathode materials. Prices fluctuate based on supply and demand, and there is a growing interest in its environmental impact and sustainability in manufacturing processes.

How should waste containing 3-Methyltetrahydrothiophene 1,1-dioxide be handled?

Waste containing 3-Methyltetrahydrothiophene 1,1-dioxide (CAS: 872-93-5) should be collected and stored in sealed, labeled containers to prevent leaks or spills. Proper disposal methods include incineration or professional waste disposal services. Environmental protection measures include ensuring that disposal facilities are compliant with local regulations and that all handling procedures are conducted safely to avoid exposure and environmental contamination.