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Sodium 1-octanesulfonate - ≥96%（T）, high purity , CAS No.5324-84-5

6 Citations

COA

Grade & Purity:

≥96%(T)

Cas Number: 5324-84-5
Molecular Weight: 216.27
Beilstein Registry Number: 3574241
EC Number: 226-195-4
MDL number: MFCD00007544
PubChem CID: 23669624

In stock

Item Number

S656927

Grouped product items
SKU	Size	Availability	Price
S656927-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
S656927-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$47.90
S656927-100g	100g	1	$134.90
S656927-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$539.90

Basic Description

Synonyms	Sodium 1-octanesulfonate \| 5324-84-5 \| sodium octane-1-sulfonate \| 1-Octanesulfonic acid sodium salt \| Sodium caprylyl sulfonate \| 1-Octanesulfonic acid, sodium salt \| Sodium octanesulfonate \| Sodium octylsulfonate \| MFCD00007544 \| octane-1-sulfonic acid sodium salt \| J46EZ5
Specifications & Purity	≥96%(T)
Shipped In	Normal
Product Description	An ion-pairing reagent for HPLC analysis of peptides and proteins.

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 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 - Organosulfur compound - 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
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

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	sodium;octane-1-sulfonate
INCHI	InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
InChIKey	HRQDCDQDOPSGBR-UHFFFAOYSA-M
Smiles	CCCCCCCCS(=O)(=O)[O-].[Na+]
Isomeric SMILES	CCCCCCCCS(=O)(=O)[O-].[Na+]
WGK Germany	3
Molecular Weight	216.27
Beilstein	3574241
Reaxy-Rn	3574241
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3574241&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
C2511681	Certificate of Analysis	Mar 17, 2025	S656927
C2511670	Certificate of Analysis	Mar 15, 2025	S656927
C2511679	Certificate of Analysis	Mar 15, 2025	S656927
C2511677	Certificate of Analysis	Mar 15, 2025	S656927
C2511678	Certificate of Analysis	Mar 15, 2025	S656927
B2428050	Certificate of Analysis	Mar 09, 2024	S656927
B2428052	Certificate of Analysis	Mar 09, 2024	S656927
B2428051	Certificate of Analysis	Mar 09, 2024	S656927

Chemical and Physical Properties

Solubility	Soluble in water (216 mg/ml).
Melt Point(°C)	300°C
Molecular Weight	216.280 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	216.08 Da
Monoisotopic Mass	216.08 Da
Topological Polar Surface Area	65.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184.000
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

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