Sodium octylsulfonate

Base Information

• Chemical Name: Sodium octylsulfonate
• CAS No.: 5324-84-5
• Molecular Formula: C8H17NaO3S
• Molecular Weight: 216.277
• Hs Code.: 29041000
• NSC Number: 2738
• Mol file: 5324-84-5.mol

Synonyms:Sodium octylsulfonate;sodium;octane-1-sulfonic acid;NSC2738;NSC-2738;sodium octane-1-sulfonic acid

Chemical Property of Sodium octylsulfonate

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: >300 °C
• Boiling Point: >300 °C
• PSA: 65.58000
• Density: 1.084g/cm3
• LogP: 2.97290
• Storage Temp.: Store at +5°C to +30°C.
• Solubility.: H2O: soluble1M at 20°C, clear, colorless
• Water Solubility.: Soluble in water producing a clear and colorless solution.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 217.08743489
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

1-Octanesulfonic acid sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F,C
• Hazard Codes: Xi,C,F
• Statements: 36/37/38-34-11
• Safety Statements: 22-24/25-45-36/37/39-26-16-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCS(=O)(=O)O.[Na+]
• Description: Sodium 1-octanesulfonate can be used as ion-pairing reagent for ultra-high performance liquid chromatography (UPLC) analysis with photodiode array detection, to estimate paraquat (methyl viologen) in tissue homogenate1,2. It may also be used in determination of dopamine and its metabolites in brain microdialysates using liquid chromatography combined with electrospray ionization tandem mass spectrometry (LC–ESI-MS/MS). It can also be used as a reagent for HPLC analysis of organic compounds, and more specifically, peptides and proteins. It is found to interact with human serum albumin. It is also used as an ion complexation agent for N-nitrosodiethanolamine3. Its monohydrate is used as an anionic detergent and is a surface-active reagent4.
• Uses: suzuki reaction 1-Octanesulfonic Acid Sodium Salt is a non-fluorinated surfactant with potential bactericidal efficacy against Escherichia coli. NaOS has been used as ion-pairing reagent for ultra-high performance liquid chromatography (UPLC) analysis with photodiode array detection to estimate paraquat (methyl viologen) in tissue homogenate. It may also be used in determination of dopamine and its metabolites in brain microdialysates using liquid chromatography combined with electrospray ionization tandem mass spectrometry (LC–ESI-MS/MS).

Technology Process of Sodium octylsulfonate

There total 8 articles about Sodium octylsulfonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-bromo-octane (111-83-1) → sodium octylsulfonate (5324-84-5)

Guidance literature:

With water; sodium sulfite; at 180 - 200 ℃;

Reference yield:

Sodium trans-1-octene-1-sulfonate (83633-61-8) → sodium octylsulfonate (5324-84-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In water; for 2h; under 41371.8 Torr; Ambient temperature;

DOI:10.1021/je00031a036

Reference yield:

oct-1-ene (111-66-0,25068-25-1) → sodium octylsulfonate (5324-84-5)

Guidance literature:

Multi-step reaction with 6 steps

1: 49 percent / benzoyl peroxide / benzene / 20 h / Heating

2: 98 percent / NaI / acetone / 1 h / Ambient temperature

3: 88 percent / PCl₅

4: 55 percent / Et₃N / benzene

5: 78 percent / NaHCO₃ / H₂O / 1 h / Heating

6: H₂ / 10percent Pd/C / H₂O / 2 h / 41371.8 Torr / Ambient temperature

With phosphorus pentachloride; hydrogen; sodium hydrogencarbonate; triethylamine; sodium iodide; dibenzoyl peroxide; palladium on activated charcoal; In water; acetone; benzene;

DOI:10.1021/je00031a036

upstream raw materials:

1-bromo-octane

Sodium trans-1-octene-1-sulfonate

oct-1-ene

trans-1-Octene-1-sulfonyl chloride

Downstream raw materials:

dioctyl disulfide

octane-1-sulfonyl chloride

C₈H₁₇O₃S^(1-)*C₂₉H₁₈N⁽¹⁺⁾

2-phenyl-9-tetradecyl-benzo[8,9]quinolizino[4,5,6,7-fed]phenanthridinylium octanesulfonate