1-Butyl-3-methyl-1H-imidazol-3-ium octyl sulfate

Basic Information

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CAS Number

445473-58-5

Molecular Formula

C16H32N2O4S

Molecular Weight

348.5 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

37°C

Boiling Point

°Cat760mmHg

SMILES

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CCCCCCCCOS(=O)(=O)[O-].CCCCN1C=C[N+](=C1)C

InChI

InChI=1S/C8H15N2.C8H18O4S/c1-3-4-5-10-7-6-9(2)8-10;1-2-3-4-5-6-7-8-12-13(9,10)11/h6-8H,3-5H2,1-2H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1

InChIKey

KIDIBVPFLKLKAH-UHFFFAOYSA-M

LogP

4.01720

Complexity

273

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Stability

hygroscopic

Sensitiveness

对湿度敏感

Synonyms & References

English

1-Butyl-3-methylimidazolium octylsulfate
1-butyl-3-methylimidazolium octyl sulphate
1-n-Butyl-3-methylimidazoliumoctyl sulfate
FT-0741134
SCHEMBL20287
E78133
BMIM OSU
1-Butyl-3-methylimidazolium N-octylsulfate
1-butyl-3-methylimidazolium 1-octyl sulfate
ECOENG 418
AS-67715
1-Butyl-3-methylimidazolium octylsulfate [BMIM] [OctSO4]
445473-58-5
AKOS015898300
1-Butyl-3-methylimidazolium octyl sulfate, >=95.0% (HPLC)
1-n-Butyl-3-methylimidazolium octyl sulfate
1-Butyl-3-methylimidazolium octyl sulfate
MFCD03788914
1-butyl-3-methylimidazol-3-ium;octyl sulfate
1-methyl-3-butylimidazolium octyl sulfate
DTXSID50477460
1-butyl-3-methyl-1H-imidazol-3-ium octyl sulfate
1-n-Butyl-3-methylimidazolium n-octyl sulfate
KIDIBVPFLKLKAH-UHFFFAOYSA-M
1-n-Butyl-3-methylimidazolium n-octylsulfate
1-butyl-3-methylimidazol-3-ium,octyl sulfate
3-butyl-1-methyl-1H-Imidazolium octyl sulfate
1-Methyl-3-butylimidazolium octyl sulfate
Ecoeng 418

MDL Number

MFCD03788914

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 1-Butyl-3-methyl-1H-imidazol-3-ium octyl sulfate (CAS: 445473-58-5)?

1-Butyl-3-methyl-1H-imidazol-3-ium octyl sulfate (CAS: 445473-58-5) is a crystalline solid with a molecular weight of approximately 304.4 g/mol. It is slightly soluble in water and has good solubility in organic solvents. The compound exhibits mild chemical reactivity, primarily through the imidazolium and sulfate groups. It is commonly used in various applications due to its unique physicochemical properties.

How is 1-Butyl-3-methyl-1H-imidazol-3-ium octyl sulfate (CAS: 445473-58-5) typically synthesized?

1-Butyl-3-methyl-1H-imidazol-3-ium octyl sulfate is typically synthesized through a multistep process involving the reaction of 1-butyl-3-methylimidazolium chloride with sodium octyl sulfate. The synthesis yields a product with high purity and selectivity. The reaction involves the use of a solvent and is conducted under mild conditions to ensure optimal yield and purity.

What industries use 1-Butyl-3-methyl-1H-imidazol-3-ium octyl sulfate (CAS: 445473-58-5)?

1-Butyl-3-methyl-1H-imidazol-3-ium octyl sulfate (CAS: 445473-58-5) is predominantly used in the pharmaceutical and polymer industries. It also finds applications in the development of sensors and semiconductors due to its unique physicochemical properties. Its use in these industries is driven by its ability to enhance performance and stability in various formulations.

What precautions should be taken when handling 1-Butyl-3-methyl-1H-imidazol-3-ium octyl sulfate (CAS: 445473-58-5)?

When handling 1-Butyl-3-methyl-1H-imidazol-3-ium octyl sulfate (CAS: 445473-58-5), it is important to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spills, they should be handled according to standard procedures, and the Material Safety Data Sheet (MSDS) should be consulted for specific guidelines. Fume hoods should be used during handling to minimize inhalation risks.