11-Mercaptoundecylphosphoric acid - ≥90% , CAS No.188678-49-1

CAS: 188678-49-1 Cat. No.: M466874 Molecular Weight: 284.35 EC Number: 633-767-0

GRADE & PURITY ≥90%

Synonyms

11-MERCAPTOUNDECYLPHOSPHORIC ACID, 99 | AKOS037653471 | 11-Mercaptoundecylphosphoric acid, 90% | 11-Mercaptoundecylphosphoric acid,99 | 11-sulfanylundecyl dihydrogen phosphate | 1-Undecanol, 11-mercapto-, 1-(dihydrogen phosphate) | 11-mercaptoundecyl dihy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Description

High purity phosphate derivitized thiol for SAMs

Specifications

Synonyms

11-MERCAPTOUNDECYLPHOSPHORIC ACID, 99 | AKOS037653471 | 11-Mercaptoundecylphosphoric acid, 90% | 11-Mercaptoundecylphosphoric acid, 99 | 11-sulfanylundecyl dihydrogen phosphate | 1-Undecanol, 11-mercapto-, 1-(dihydrogen phosphate) | 11-mercaptoundecyl dihy

Specifications & Purity

≥90%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%

Names and Identifiers

• Canonical Smiles: C(CCCCCOP(=O)(O)O)CCCCCS
• IUPAC Name: 11-sulfanylundecyl dihydrogen phosphate
• InChIKey: XPYXJSSCWCSOFO-UHFFFAOYSA-N
• INCHI: 1S/C11H25O4PS/c12-16(13,14)15-10-8-6-4-2-1-3-5-7-9-11-17/h17H,1-11H2,(H2,12,13,14)
• Isomeric SMILES: C(CCCCCOP(=O)(O)O)CCCCCS
• UN Number: 3335
• Molecular Weight: 284.35
• Reaxy-Rn: 8635298
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8635298&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Monoalkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Monoalkyl phosphates
• Alternative Parents: Alkylthiols Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monoalkyl phosphate - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
• 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

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 48-52℃
• Molecular Weight: 284.350 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 284.121 Da
• Monoisotopic Mass: 284.121 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 208.000
• 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: 1

References

1. Rong Yang, Di Meng, Xinyao Zhang, Weixuan Zhao, Xuanjie Huang, Zulin Wang, Bo Ma, Jun Yao, Wenjihao Hu.  (2025)  Intrinsic nanoconfinement design in halloysite nanotubes enhances the affinity of zirconium phosphate for efficient removal of heavy metal ions.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.165613]