Sodium 1-octanesulfonate - ≥98% , CAS No.5324-84-5

CAS: 5324-84-5 Cat. No.: S108926 Molecular Weight: 216.27 Beilstein Registry Number: 3574241 EC Number: 226-195-4

GRADE & PURITY ≥98%

Synonyms

1-Octanesulfonic acid sodium salt | Sodium caprylyl sulfonate | 1-Octanesulfonic acid, sodium salt | octane-1-sulfonic acid sodium salt | Sodium octanesulfonate | Sodium 1-octanesulfonate | sodium octane-1-sulfonate | Sodium octylsulfonate | n-Octylsulfon

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

1-Octanesulfonic acid sodium is an anionic detergent and a surfactant with excellent coupling properties. This versatile molecule finds application as a buffer component, in cell biology, analytical chemistry, and biochemical research.

Application：

1-Octanesulfonic acid sodium salt has been used:
as a component of 9 parts buffer to determine the concentration of L-Dopa in extracts of seed flour
in mobile phase solution to measure dopamine in rats using high-performance liquid chromatography (HPLC) analysis
in neurochemistry for the preparation of mobile phase buffer for HPLC analysis.
Ion-pairing reagent for HPLC analysis of peptides and proteins.

Specifications

Synonyms

1-Octanesulfonic acid sodium salt | Sodium caprylyl sulfonate | 1-Octanesulfonic acid, sodium salt | octane-1-sulfonic acid sodium salt | Sodium octanesulfonate | Sodium 1-octanesulfonate | sodium octane-1-sulfonate | Sodium octylsulfonate | n-Octylsulfon

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Ion-pairing reagent for HPLC analysis of peptides and proteins.

Storage

Argon charged, Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;octane-1-sulfonate
• InChIKey: HRQDCDQDOPSGBR-UHFFFAOYSA-M
• INCHI: 1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
• Isomeric SMILES: CCCCCCCCS(=O)(=O)[O-].[Na+]
• WGK Germany: 3
• Alternate CAS: 3944-72-7
• Molecular Weight: 216.27
• Beilstein: 3574241
• Reaxy-Rn: 3574241
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3574241&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (216 mg/ml).
• Sensitivity: Light & Moisture Sensitive.
• Melt Point(°C): 300°C
• Molecular Weight: 216.280 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 216.08 Da
• Monoisotopic Mass: 216.08 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

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