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Sodium 1-octanesulfonate monohydrate - suitable for ion pair chromatography, ChromaClear™, ≥99.0% (T), high purity , CAS No.207596-29-0

COA

Grade & Purity:

for ion pair chromatography

UltraPureChrom™

≥99%(T)

Cas Number: 207596-29-0
Molecular Weight: 234.29
Beilstein Registry Number: 3574240
PubChem CID: 23666339

In stock

Item Number

S432305

Grouped product items
SKU	Size	Availability	Price
S432305-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$331.90
S432305-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,944.90
S432305-250g	250g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$6,644.90

Basic Description

Synonyms	1-OCTANESULFONIC ACID, SODIUM SALT, MONOHYDRATE \| F10031 \| FT-0688124 \| sodium hydrate octane-1-sulfonate \| A879449 \| MBURIAHQXJQKRE-UHFFFAOYSA-M \| EN300-1268110 \| C8H19NaO4S \| DTXSID40635416 \| SODIUM 1-OCTANESULFONATE HYDRATE \| Sodium Octane-1-sulfonate
Specifications & Purity	UltraPureChrom™, for ion pair chromatography, ≥99%(T)
Grade	for ion pair chromatography, UltraPureChrom™
Product Description	Sodium 1-octanesulfonate monohydrate is an ion-pair reagent suitable for cation separation sorted by carbon chain length. Application Sodium 1-octanesulfonate monohydrate may be used as an ion pair reagent for the determination of trigonelline in coffee samples by ion-pair chromatography. It may also be used as a mobile phase additive and diluent in the identification, assay and impurity profile analysis of methylseleno-L-cysteine (L-SeMC) bulk drug by reversed-phase ion-pairing HPLC method with UV detection.

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 Organic cations
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 - Organic cation - 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

Names and Identifiers

IUPAC Name	sodium;octane-1-sulfonate;hydrate
INCHI	InChI=1S/C8H18O3S.Na.H2O/c1-2-3-4-5-6-7-8-12(9,10)11;;/h2-8H2,1H3,(H,9,10,11);;1H2/q;+1;/p-1
InChIKey	MBURIAHQXJQKRE-UHFFFAOYSA-M
Smiles	CCCCCCCCS(=O)(=O)[O-].O.[Na+]
Isomeric SMILES	CCCCCCCCS(=O)(=O)[O-].O.[Na+]
WGK Germany	3
Molecular Weight	234.29
Beilstein	3574240
Reaxy-Rn	30312007
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30312007&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	≥300 °C
Molecular Weight	234.290 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	234.09 Da
Monoisotopic Mass	234.09 Da
Topological Polar Surface Area	66.600 Å²
Heavy Atom Count	14
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	3

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