Sodium decyl sulfate（DESS） - for ion pair chromatography , CAS No.142-87-0

CAS: 142-87-0 Cat. No.: S129113 Molecular Weight: 260.33 Beilstein Registry Number: 3576860 EC Number: 205-568-5 PubChem CID: 23665771

GRADE & PURITY for Ion pair chromatography

Synonyms

CAS-142-87-0 | MLS006011951 | NCGC00255510-01 | Sulfuric acid, monodecyl ester, sodium salt | D78385 | AKOS024388173 | Decyl sodium sulfate | DTXCID2016229 | Sodium decyl sulphate | sodium n-decyl sulfate | n-Decyl sodium sulfate | ?SODIUM DECYL SULFATE |

Storage

Desiccated,Room temperature

Shipped In

Normal

Overview

Sodium decyl sulfate is an anionic surfactant.It is a sodium salt monodecyl ester of sulfuric acid. It also has application in textile, leather and other industries as emulsifier, wetting agent, dispersant, fiber lubricant, and synthetic fatliquor.

Application
Sodium decyl sulfate was used in a study conducted to investigate the preferential interaction of poly(vinylpyrrolidone) (PVP) toward the alkyl sulfate surfactants using 13C and 1H NMR and NOESY measurements.

Specifications

Synonyms

CAS-142-87-0 | MLS006011951 | NCGC00255510-01 | Sulfuric acid, monodecyl ester, sodium salt | D78385 | AKOS024388173 | Decyl sodium sulfate | DTXCID2016229 | Sodium decyl sulphate | sodium n-decyl sulfate | n-Decyl sodium sulfate | ?SODIUM DECYL SULFATE |

Specifications & Purity

for ion pair chromatography

Storage

Desiccated, Room temperature

Shipped In

Normal

Grade

for Ion pair chromatography

Names and Identifiers

• Pubchem Sid: 504769517
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769517
• Canonical Smiles: CCCCCCCCCCOS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;decyl sulfate
• InChIKey: XZTJQQLJJCXOLP-UHFFFAOYSA-M
• INCHI: 1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
• Isomeric SMILES: CCCCCCCCCCOS(=O)(=O)[O-].[Na+]
• WGK Germany: 2
• RTECS: WS7625000
• PubChem CID: 23665771
• Molecular Weight: 260.33
• Beilstein: 3576860

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid monoesters
• Alternative Parents: Alkyl sulfates Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group).
• 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

• Sensitivity: Hygroscopic
• Molecular Weight: 260.329 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 260.106 Da
• Monoisotopic Mass: 260.106 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 223.000
• 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. Xiangyu Dou, Shuitao Gao, Zekang Lu, Jianbin Huang, Yun Yan.  (2023)  Effect of the Molecular Weight of Polyelectrolyte and Surfactant Chain Length on the Solid-Phase Molecular Self-Assembly.  JOURNAL OF PHYSICAL CHEMISTRY B,      [PMID:38082415] [10.1021/acs.jpcb.3c07071]

2. Boyan Li, Qiongyao Ning, Wenyou Ye, Qianxi Wang, Haili Yu, Xuecheng Chen, Yi He.  (2024)  Halogen-bond mediated charge transfer for visual competitive colorimetric detection of fentanyl.  Forensic Chemistry,      [PMID:] [10.1016/j.forc.2024.100618]