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

Item Number

S432305

Grouped product items
SKU	Size	Availability	Price	Qty
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.

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
InChi Key	MBURIAHQXJQKRE-UHFFFAOYSA-M
Canonical SMILES	CCCCCCCCS(=O)(=O)[O-].O.[Na+]
Isomeric SMILES	CCCCCCCCS(=O)(=O)[O-].O.[Na+]
WGK Germany	3
PubChem CID	23666339
Molecular Weight	234.29
Beilstein	3574240

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

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
WGK Germany	3

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Basic Description