diethyl sulfate; 2-dimethylaminoethyl 2-methylprop-2-enoate; 1-vinylpyrrolidin-2-one

Basic Information

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CAS Number

53633-54-8

Molecular Formula

C18H34N2O7S

Molecular Weight

422.54 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 Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

187 °C at 760 mmHg

Boiling Point

70.6 °C

Density

1.05 g/mL at 25 °C

Flash Point

70.6°C

Refractive Index

n20/D 1.369

SMILES

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CCOS(=O)(=O)OCC.CC(=C)C(=O)OCCN(C)C.C=CN1CCCC1=O

InChI

InChI=1S/C8H15NO2.C6H9NO.C4H10O4S/c1-7(2)8(10)11-6-5-9(3)4;1-2-7-5-3-4-6(7)8;1-3-7-9(5,6)8-4-2/h1,5-6H2,2-4H3;2H,1,3-5H2;3-4H2,1-2H3

InChIKey

XXJPSODUGQZOHA-UHFFFAOYSA-N

LogP

1.7238

Topological Polar Surface Area

102.44999999999999 Å²

Hydrogen Bond Donor/Acceptor

0 / 9

Complexity

402

Safety Information

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GHS Hazard Pictograms

H401

Hazard Statement

H401 Toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

2-(Dimethylamino)ethyl methacrylate compound with diethyl sulfate and 1-vinylpyrrolidin-2-one (1:1:1)
UNII-0B44BS5IJS
CS-0453451
53633-54-8
Quaternium-23
0B44BS5IJS
SCHEMBL444003
diethyl sulfate;2-(dimethylamino)ethyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
Polyquaternium-11
Poly(N-vinylpyrrolidone 2-dimethylaminoethyl methacrylate) diethyl sulfate
N,N-Dimethylaminoethyl methacrylate-vinylpyrrolidone copolymer diethyl sulfate salt
POLY(N-VINYLPYRROLIDONE 2-DIMETHYLAMINOETHYL METHACRYLATE) DIMETHYL SULFATE
Polyquaternium 11
2-methylacrylic acid 2-dimethylaminoethyl ester
dimethylaminoethyl methacrylate
Luviquat PQ 11 PN
LuviquatTM PQ 11 PN
Poly(1-vinylpyrrolidone-co-2-dimethylaminoethyl methacrylate),Polyquaternium D 11
Polyquaternium D 11
sulfate
vinylpyrrolidone
yl-2-pyrrolidinone,compd.withdiethylsulfate

MDL Number

MFCD00284283

FAQ

What regulatory guidelines apply to diethyl sulfate (CAS: 53633-54-8)?

Diethyl sulfate (CAS: 53633-54-8) falls under the purview of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication, storage, and handling. Specific regulations are also covered under REACH in the EU, requiring manufacturers and importers to register substances with the European Chemicals Agency. In the US, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have requirements for handling and disposing of this chemical. Compliance with these regulations is essential to ensure safety and legal compliance.

Are there alternatives to diethyl sulfate (CAS: 53633-54-8) in synthesis?

Yes, there are alternatives to diethyl sulfate (CAS: 53633-54-8) in synthesis. Common substitutes include ethyl acetate and tert-butyl chloride, which are often used in similar reactions. These alternatives can offer better safety profiles, lower toxicity, and fewer environmental concerns. However, the choice of alternative depends on the specific reaction conditions and the desired product characteristics.

What is the market or research trend for diethyl sulfate (CAS: 53633-54-8)?

The market for diethyl sulfate (CAS: 53633-54-8) is relatively stable, with ongoing research focusing on its use in medicinal chemistry and organic synthesis. Recent trends indicate a growing interest in exploring its applications in the development of new drugs and materials. However, due to safety and environmental concerns, there is a parallel trend towards the development and use of safer alternatives. This trend is expected to influence the future demand for diethyl sulfate.

How should waste containing diethyl sulfate (CAS: 53633-54-8) be handled?

Waste containing diethyl sulfate (CAS: 53633-54-8) should be handled with caution. Collection should be done in a well-ventilated area and in proper containers. Incineration is a common method for disposal, but it must be conducted in a controlled environment to prevent the release of harmful gases. Alternatively, professional waste disposal services can handle the waste safely. Environmental protection measures include ensuring that no waste is released into water bodies or soil. Compliance with local regulations is crucial to ensure proper disposal and minimize environmental impact.