(Dimethylsulfonio)acetate

Basic Information

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CAS Number

4727-41-7

Molecular Formula

C4H8O2S

Molecular Weight

120.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

°Cat760mmHg

SMILES

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C[S+](C)CC(=O)[O-]

InChI

InChI=1S/C4H8O2S/c1-7(2)3-4(5)6/h3H2,1-2H3

InChIKey

PSBDWGZCVUAZQS-UHFFFAOYSA-N

LogP

-1.38580

Complexity

64.6

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CCRIS 5467
ACETOTHETIN, DIMETHYL-
carboxymethyl-dimethyl-sulfonium
13201-64-4
(dimethylsulfonio)acetate
F88237
8CVU22OCJW
MFCD27978701
THIOBETAINE
Sulfobetaine
DTXSID60197081
Sulfonium, (carboxymethyl)dimethyl-, hydroxide, inner salt
CHEBI:16471
Dimethylthetin
THETIN, DIMETHYL-
2,2-DIMETHYLTHETIN
2-dimethylsulfonioacetate
Dimethylsulfonioacetate
thetin
DS-19261
Q27101926
AM90363
SCHEMBL285352
Sulfonium, (carboxymethyl)dimethyl-, inner salt
AKOS030524053
2-(Dimethylsulfonio)acetate
FT-0698446
4727-41-7
2-Dimethyl sulfonioacetate
UNII-8CVU22OCJW
carboxymethyl-dimethyl sulfonium-betaine

MDL Number

MFCD27978701

FAQ

What regulatory guidelines apply to (Dimethylsulfonio)acetate (CAS: 4727-41-7)?

The (Dimethylsulfonio)acetate (CAS 4727-41-7) is classified under the GHS as a flammable liquid. It is subject to REACH regulations in Europe, requiring registration for quantities above 1 ton per year. In the USA, the EPA regulates its disposal, and the FDA may have specific requirements for its use in pharmaceutical applications.

Are there alternatives to (Dimethylsulfonio)acetate in synthesis (CAS: 4727-41-7)?

Alternatives to (Dimethylsulfonio)acetate in synthesis include related acetates and other dimethylsulfonium compounds. Common substitutes include dimethylsulfone and methyl acetate, which offer similar functionalities but may differ in reactivity and toxicity. These alternatives are often chosen based on cost, availability, and specific reaction conditions.

What is the market or research trend for (Dimethylsulfonio)acetate (CAS: 4727-41-7)?

The market for (Dimethylsulfonio)acetate is growing due to its applications in organic synthesis and pharmaceuticals. Research trends show increasing interest in its use as a functional group in synthetic chemistry, particularly in the development of new drug candidates. The trend reflects an expanding demand in the pharmaceutical and academic research sectors.

How should waste containing (Dimethylsulfonio)acetate (CAS: 4727-41-7) be handled?

Waste containing (Dimethylsulfonio)acetate should be collected in appropriate containers, labeled, and stored away from incompatible materials. It should be disposed of by incineration or through professional waste disposal services. Environmental protection precautions include ensuring proper ventilation and using personal protective equipment during handling. The waste should be treated as a hazardous substance under local regulations.