Cas no 80-42-2 (Propyl benzenesulfonate)

Propyl benzenesulfonate is a versatile organic compound widely utilized in various industries. It is characterized by its stability and effectiveness as a surfactant. Its primary advantages include its low toxicity, high solubility, and excellent compatibility with various solvents, making it suitable for applications in detergent formulation, pharmaceuticals, and as a solvent for organic reactions. Its unique properties make it a valuable chemical intermediate with broad applicability.
Propyl benzenesulfonate structure
Propyl benzenesulfonate structure
Product Name:Propyl benzenesulfonate
CAS No:80-42-2
MF:C9H12O3S
MW:200.254781723022
MDL:MFCD00996025
CID:728062
PubChem ID:220447
Update Time:2025-06-18

Propyl benzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,propyl ester
    • Propyl Benzenesulfonate
    • n-Propyl Benzenesulfonate
    • Propyl Benzenesulfon
    • Benzolsulfonsaeurepropylester
    • Propyl-benzolsulfonat
    • Benzenesulfonic acid, propyl ester
    • Benzenesulfonic Acid Propyl Ester
    • n-propylbenzene-sulfonate
    • NSC3216
    • OCNPXKLQSGAGKT-UHFFFAOYSA-N
    • AK481899
    • NSC 3216
    • C76578
    • NSC-3216
    • CS-0152045
    • DS-18921
    • A916921
    • EINECS 201-278-8
    • SCHEMBL778545
    • NS00022805
    • AKOS027427147
    • Propyl benzenesulphonate
    • DTXSID7058834
    • CCRIS 9162
    • FT-0674095
    • U9DCN8VQ7F
    • 80-42-2
    • PROPYLBENZENESULFONATE
    • MFCD00996025
    • DTXCID7048164
    • DB-266662
    • Propyl benzenesulfonate
    • MDL： MFCD00996025
    • Inchi： 1S/C9H12O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
    • InChI Key： OCNPXKLQSGAGKT-UHFFFAOYSA-N
    • SMILES： O=S(C1C=CC=CC=1)(OCCC)=O

Computed Properties

  • Exact Mass: 200.05100
  • Monoisotopic Mass: 200.05071541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 222
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 51.8
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.1804
  • Boiling Point: 298.8°C at 760 mmHg
  • Refractive Index: 1.5035 (estimate)
  • PSA: 51.75000
  • LogP: 2.88270

Propyl benzenesulfonate Security Information

Propyl benzenesulfonate Pricemore >>

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SHANG HAI XIAN DING Biotechnology Co., Ltd.
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Propyl benzenesulfonate Production Method

Production Method 1

Reaction Conditions
Reference
Hexamethylenetetramine. I
Hahn, Friedrich L.; et al, Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen, 1921, 54, 1531-42

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