CAS 80-42-2

Propyl benzenesulfonate

Description:

Propyl benzenesulfonate, with the CAS number 80-42-2, is an organic compound characterized by the presence of a propyl group attached to a benzenesulfonate moiety. It is typically a colorless to pale yellow liquid with a distinct aromatic odor. This compound is soluble in organic solvents and exhibits limited solubility in water, which is common for sulfonate esters. Propyl benzenesulfonate is primarily used as a surfactant and emulsifying agent in various industrial applications, including detergents and personal care products. Its chemical structure contributes to its ability to lower surface tension, making it effective in promoting the mixing of oil and water. Additionally, it may serve as an intermediate in the synthesis of other chemical compounds. Safety data indicates that, while it can be irritating to the skin and eyes, proper handling and usage guidelines can mitigate potential hazards. As with many sulfonate esters, it is important to consider environmental impacts and regulatory guidelines when using this substance in industrial processes.

Formula: C₉H₁₂O₃S

InChI: InChI=1S/C9H12O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChI key: InChIKey=OCNPXKLQSGAGKT-UHFFFAOYSA-N

SMILES: S(OCCC)(=O)(=O)C1=CC=CC=C1

Synonyms:

• Benzenesulfonic acid, propyl ester
• Ccris 9162
• Nsc 3216
• Propyl benzenesulfonate
• Propyl benzenesulphonate

Benzenesulfonic acid,propyl ester

CAS: 80-42-2

Formula: C₉H₁₂O₃S

Purity: 98%

Color and Shape: Liquid

Molecular weight: 200.2548

Ref: IN-DA0053AE

Propyl benzenesulfonate

CAS: 80-42-2

Propyl benzenesulfonate

Purity: 98%

Molecular weight: 200.25g/mol

Ref: 54-OR79418

Propyl Benzenesulfonate

CAS: 80-42-2

Formula: C₉H₁₂O₃S

Molecular weight: 200.25

Ref: 4Z-B-6113

Propyl Benzenesulfonate

Controlled Product

CAS: 80-42-2

Stability Moisture Sensitive
Applications Butyl Benzenesulfonate is an aryl-sulfonate genotoxic impurity found in trace levels in drug substances.
References An, J. et al.: J. Pharmac. Biomed. Anal., 48, 1006 (2008);

Formula: C₉H₁₂O₃S

Color and Shape: Neat

Molecular weight: 200.26

Ref: TR-P835050

Propyl benzenesulfonate

CAS: 80-42-2

Formula: C₉H₁₂O₃S

Purity: 98%

Color and Shape: Solid

Molecular weight: 200.25

Ref: 10-F516466