Octadecyl sulfate sodium salt - technical grade, ≥93% , CAS No.1120-04-3

CAS: 1120-04-3 Cat. No.: O477106 Molecular Weight: 372.55 EC Number: 214-295-0

GRADE & PURITY Technical grade, ≥93%

Synonyms

Sodium octadecyl sulfate | SODIUM STEARYL SULFATE [INCI] | FT-0651539 | NWZBFJYXRGSRGD-UHFFFAOYSA-M | Q27289656 | BAA12004 | J-002685 | (4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Sodium octadecyl sulfate | SODIUM STEARYL SULFATE [INCI] | FT-0651539 | NWZBFJYXRGSRGD-UHFFFAOYSA-M | Q27289656 | BAA12004 | J-002685 | (4aS, 6aR, 8aR, 8bR, 9aS, 12R, 12aS, 14aR, 14bR)-12-(furan-3-yl)-6, 6, 8a, 12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4', 3':3, 3a

Specifications & Purity

technical grade, ≥93%

Storage

Room temperature

Shipped In

Normal

Grade

Technical grade

Purity

≥93%

Names and Identifiers

• Pubchem Sid: 488200469
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200469
• Canonical Smiles: CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;octadecyl sulfate
• InChIKey: NWZBFJYXRGSRGD-UHFFFAOYSA-M
• INCHI: 1S/C18H38O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
• Molecular Weight: 372.55
• Reaxy-Rn: 3640871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3640871&ln=

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

• Melt Point(°C): 211-213° C (lit.)
• Molecular Weight: 372.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 372.231 Da
• Monoisotopic Mass: 372.231 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 328.000
• 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. Meng Du, Lei Chen, Hongwei Sun, Zeyu Cai, Yixiao Chen, Zia-ud Din, Kun Zhuang, Jie Cai, Wenping Ding.  (2025)  Effects of sodium sulfonate with different alkyl chain lengths on starch in starch-rich system: Structure, surface properties, and interaction mechanism.  Journal of Future Foods,      [PMID:] [10.1016/j.jfutfo.2024.12.010]

2. Mengyu Zhang, Mengyuan Liu, Hongwei Sun, Zia-ud Din, Lijie Zhu, Wenping Ding, Lei Chen.  (2025)  Assessing the impact of interaction between starch and emulsifier on the performance of starch-based adhesive: Adjusting the alkyl chain lengths of sodium sulfonate.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2025.122516]