Disodium 4-dodecyl-2,4'-oxydibenzenesulfonate - 45% aqueous solution , CAS No.7575-62-4

CAS: 7575-62-4 Cat. No.: D304567 Molecular Weight: 542.62

GRADE & PURITY 45% aqueous solution

Synonyms

DTXSID6041898 | EPA Pesticide Chemical Code 079002 | Q27285266 | Benzenesulfonic acid, 4-dodecyl-2-(4-sulfophenoxy)-, disodium salt | F20704 | Benzenesulfonic acid, 4-dodecyl-2,4'-oxydi-, disodium salt | Sodium 4-dodecyl-2-(4-sulfonatophenoxy)benzenesulfo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID6041898 | EPA Pesticide Chemical Code 079002 | Q27285266 | Benzenesulfonic acid, 4-dodecyl-2-(4-sulfophenoxy)-, disodium salt | F20704 | Benzenesulfonic acid, 4-dodecyl-2, 4'-oxydi-, disodium salt | Sodium 4-dodecyl-2-(4-sulfonatophenoxy)benzenesulfo

Specifications & Purity

45% aqueous solution

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488183494
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183494
• Canonical Smiles: CCCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)[O-])OC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;4-dodecyl-2-(4-sulfonatophenoxy)benzenesulfonate
• InChIKey: MORMPWNLQJTSOT-UHFFFAOYSA-L
• INCHI: 1S/C24H34O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-18-24(33(28,29)30)23(19-20)31-21-14-16-22(17-15-21)32(25,26)27;;/h13-19H,2-12H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2
• Isomeric SMILES: CCCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)[O-])OC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+].[Na+]
• Alternate CAS: 119345-04-9
• Molecular Weight: 542.62
• Reaxy-Rn: 37869228
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37869228&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenoxy compounds Phenol ethers Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenol ether - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Ether - Organic alkali metal salt - Organic oxygen compound - Organic salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Chemical and Physical Properties

• Molecular Weight: 542.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 542.138 Da
• Monoisotopic Mass: 542.138 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 705.000
• 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: 3

XLogP3

References

1. Xiaoguang Qiao, Xin Dong, Ge shi, Yanjie He, Xinchang Pang.  (2023)  Enzyme assisted oxygen tolerance nitroxide-mediated miniemulsion polymerization.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112380]

2. Yicun Wang, Dezhong Yu, Hualiang Huang.  (2024)  High temperature long-lasting corrosion inhibition mechanism of sodium dodecyldiphenyl ether disulfonate on ADC12 aluminum alloy in oxalic acid solution.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2024.135502]

3. Yinghui Chen, Meng Peng, Hualiang Huang.  (2025)  Collaborative corrosion inhibition behavior of sodium lauryl diphenyl ether disulfonate and Na2B4O7 on AZ91D magnesium alloy.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.138934]

4. Lingzhi Chen, Meng Peng, Hualiang Huang.  (2025)  Efficient and long-lasting corrosion inhibition mechanisms of disodium 4-dodecyl-2,4′-oxydibenzenesulfonate on copper in 0.5 wt% ammonia water: experimental and theoretical calculations.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.137423]