Natriumlaurylpolyoxyethylenethersulfat - ≥25% , CAS No.9004-82-4

CAS: 9004-82-4 Cat. No.: S196294 Summenformel: C₁₂H₂₅（CH₂CH₂O)nSO₄Na EG-Nummer: 688-491-3 PubChem CID: 23665884

GRADE & PURITY ≥25%

Synonyms

2-(Dodecyloxy)ethyl Natriumsulfat | Sodium Lauryl Ethoxy Sulphate | Kalium Dichromat, Yanagishima Pharmaceutical Co. Ltd. | SCHEMBL675596 | UNII-SUY7YR7K8F | FT-0699797 | Tox21_302374 | NCGC00255215-01 | DSSTox_CID_9298 | DTXSID70274019 | Ethanol, 2-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-(Dodecyloxy)ethyl Natriumsulfat | Sodium Lauryl Ethoxy Sulphate | Kalium Dichromat, Yanagishima Pharmaceutical Co. Ltd. | SCHEMBL675596 | UNII-SUY7YR7K8F | FT-0699797 | Tox21_302374 | NCGC00255215-01 | DSSTox_CID_9298 | DTXSID70274019 | Ethanol, 2-

Spezifikationen & Reinheit

≥25%

Storage

Room temperature

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥25%

Namen und Kennungen

Pubchem Sid

504769518

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769518

Kanonisches Lächeln

CCCCCCCCCCCCOCCOS(=O)(=O)[O-].[Na+]

IUPAC Name

sodium;2-dodecoxyethyl sulfate

InChIKey

ASEFUFIKYOCPIJ-UHFFFAOYSA-M

INCHI

1S/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1

Isomere SMILES

CCCCCCCCCCCCOCCOS(=O)(=O)[O-].[Na+]

PubChem CID

23665884

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid monoesters
• Alternative Parents: Alkyl sulfates Dialkyl ethers Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic alkali metal salt - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethanol; Insoluble in xylene,
• Molekulargewicht: 332.430 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 15
• Exact Mass: 332.163 Da
• Monoisotopic Mass: 332.163 Da
• Topological Polar Surface Area: 84.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 290.000
• 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