Sodium 1-butanesulfonate - for ion pair chromatography, ≥99%(T) , CAS No.2386-54-1

CAS: 2386-54-1 Cat. No.: S118662 Molecular Weight: 160.17 Beilstein Registry Number: 3716662 EC Number: 219-201-1 PubChem CID: 4096517

GRADE & PURITY for Ion pair chromatography, ≥99%(T)

Synonyms

1-Butanesulfonic acid, sodium salt | Sodium 1-butanesulfonate, >=99%, Ion-Pair reagent | Sodium 1-butanesulfonate, anionic detergent | Sodium butane-1-sulphonate | sodium n-butylsulfonate | 1-Butanesulfonic acid sodium salt | AS-14378 | BCP22531 | Sodium

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Sodium 1-butane sulfonate is commonly used as an anion-pairing agent in the supercritical fluid chromatography (SFC) method and reversed-phase chromatographic separation systems.

Application：

Sodium 1-butanesulfonate can be used as a:
Buffer component in high-performance liquid chromatography (HPLC) for arsenic speciation.
Mobile phase component in reverse-phase column for arsenic speciation.

Specifications

Synonyms

1-Butanesulfonic acid, sodium salt | Sodium 1-butanesulfonate, >=99%, Ion-Pair reagent | Sodium 1-butanesulfonate, anionic detergent | Sodium butane-1-sulphonate | sodium n-butylsulfonate | 1-Butanesulfonic acid sodium salt | AS-14378 | BCP22531 | Sodium

Specifications & Purity

for ion pair chromatography, ≥99%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Grade

for Ion pair chromatography

Purity

≥99%(T)

Names and Identifiers

• Pubchem Sid: 504762843
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762843
• Canonical Smiles: CCCCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;butane-1-sulfonate
• InChIKey: XQCHMGAOAWZUPI-UHFFFAOYSA-M
• INCHI: 1S/C4H10O3S.Na/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1
• Isomeric SMILES: CCCCS(=O)(=O)[O-].[Na+]
• WGK Germany: 3
• PubChem CID: 4096517
• Molecular Weight: 160.17
• Beilstein: 3716662
• Reaxy-Rn: 3716662

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 Organic cations
• 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 - Organic cation - 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Hygroscopic
• Melt Point(°C): 300°C
• Molecular Weight: 160.170 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 160.017 Da
• Monoisotopic Mass: 160.017 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 134.000
• 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

1. Kaihe Lv, Wenjian Huang, Shaoyan Wang, Yugui Han, Qiuxia Wang, Tunan Sun, Hui Yan, Han Jia.  (2020)  Systematic investigation of the effects of surfactant/salt intermolecular interaction on the interfacial tension of a water/oil system.  JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY,      [PMID:] [10.1080/01932691.2019.1617165]

2. Yue Yang, Zihui Liu, Hao Chen, Shengqing Li.  (2019)  Low-density solvent-based dispersive liquid-liquid microextraction followed by HPLC-ICP-MS for speciation analysis of phenylarsenics in lake water.  INTERNATIONAL JOURNAL OF ENVIRONMENTAL ANALYTICAL CHEMISTRY,      [PMID:] [10.1080/03067319.2019.1569644]

3. Chun Xiong, Binyu Kuang, Xueyan Chen, Xiaolei Ding, Huichao Liu, Xiangyu Pei, Zhengning Xu, Fei Zhang, Shikuan Yang, Huan Hu, Zhibin Wang.  (2025)  Morphology Rather Than Surface Tension Determines CCN Activity of Submicron Inorganic Salt/Organic Oxidized Sulfur Mixed Particles.  JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES,  130  (5): (e2024JD041920).  [PMID:] [10.1029/2024JD041920]