2-Hydroxyethanesulfonic acid sodium salt - ≥98% , CAS No.1562-00-1

CAS: 1562-00-1 Cat. No.: H105362 Molecular Weight: 148.11 Beilstein Registry Number: 3633992 EC Number: 216-343-6

GRADE & PURITY ≥98%

Synonyms

(R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol sulfate | CAS-1562-00-1 | LADXKQRVAFSPTR-UHFFFAOYSA-M | 2-Di-tert-butylphosphino-3,4,5,6-tetramethyl-2 inverted exclamation mark ,4 inverted exclamation mark ,6 inverted exclamation

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Isethionic acid sodium salt is an amphoteric detergent used in detergent bar soaps. It makes a dense lather in addition to the lather made by the soap. It is mild on the skin, and non-drying. It works equally well in soft or hard water. It is also an anti-static agent in shampoos.

Specifications

Synonyms

(R)-(6-methoxyquinolin-4-yl)((2S, 4S, 5R)-5-vinylquinuclidin-2-yl)methanol sulfate | CAS-1562-00-1 | LADXKQRVAFSPTR-UHFFFAOYSA-M | 2-Di-tert-butylphosphino-3, 4, 5, 6-tetramethyl-2 inverted exclamation mark , 4 inverted exclamation mark , 6 inverted exclamation

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758991
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758991
• Canonical Smiles: C(CS(=O)(=O)[O-])O.[Na+]
• IUPAC Name: sodium;2-hydroxyethanesulfonate
• InChIKey: LADXKQRVAFSPTR-UHFFFAOYSA-M
• INCHI: 1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
• Isomeric SMILES: C(CS(=O)(=O)[O-])O.[Na+]
• WGK Germany: 1
• Molecular Weight: 148.11
• Beilstein: 3633992
• Reaxy-Rn: 3633992
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3633992&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 Primary alcohols 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 - Primary alcohol - Organosulfur compound - Organooxygen compound - Alcohol - 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
• Sensitivity: Hygroscopic
• Melt Point(°C): 191-194°C
• Molecular Weight: 148.120 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 147.981 Da
• Monoisotopic Mass: 147.981 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 121.000
• 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. Lin Li, Yue Sun, Xiao Jin, Zizhao Wang, Yunbo Dong, Caili Dai, Mingwei Zhao, Yining Wu.  (2023)  Novel Anionic–Nonionic Surfactant Based on Water–Solid Interfacial Wettability Control for Residual Oil Development.  ACS Omega,      [PMID:37332830] [10.1021/acsomega.3c03054]

2. Yuanyuan Chen, Hanqing Dai, Zhe Hu, Jinxin Wei, Wenjie Zhou, Zhongtao Duan, Zhongjie Cui, Wei Wei, Guoqi Zhang, Wanlu Zhang, Ruiqian Guo.  (2023)  Bio-inspired combinable self-powered soft device operating during the disintegration and reconstruction for next-generation artificial electric organs.  Applied Materials Today,      [PMID:] [10.1016/j.apmt.2023.101836]

3. Youbing Mu, Zelin Wu, Danfeng Pei, Jiming Wang, Xiaobo Wan.  (2017)  A versatile platform to achieve mechanically robust mussel-inspired antifouling coatings via grafting-to approach.  Journal of Materials Chemistry B,  6  (1): (133-142).  [PMID:32254201] [10.1039/C7TB02400B]

4. Yufeng Zhou, Haijiao Zheng, Jiutong Ma, Qiong Jia.  (2017)  Preparation of a polymer monolith modified with delaminated layered double hydroxides for the microextraction of β-agonists.  JOURNAL OF SEPARATION SCIENCE,  40  (7): (1548-1555).  [PMID:28181395] [10.1002/jssc.201601324]