Basic Description

Synonyms	UNII-J46EZ5JYB3 \| W-105760 \| BCP22519 \| DTXSID2027595 \| WITCONATE NAS-FAL \| J46EZ5JYB3 \| Sodium octane-1-sulfonate;Sodium 1-octanesulfonate \| sodium n-octanesulfonate \| 1-Octanesulfonic acid sodium salt, for HPLC, >=99% \| 1-Octanesulfonic acid, sodium sal
Specifications & Purity	for ion pair chromatography, ≥99%
Shipped In	Normal
Grade	for ion pair chromatography
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

Pubchem Sid	504769566
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769566
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:

Find and download the COA for your product by matching the lot number on the packaging.

49 results found

Lot Number	Certificate Type	Date	Item
D2521638	Certificate of Analysis	Feb 26, 2025	S108927
C2507561	Certificate of Analysis	Feb 26, 2025	S108927
C2507562	Certificate of Analysis	Feb 26, 2025	S108927
C2507563	Certificate of Analysis	Feb 26, 2025	S108927
C2507564	Certificate of Analysis	Feb 26, 2025	S108927
A2522108	Certificate of Analysis	Jan 14, 2025	S108927
B2515085	Certificate of Analysis	Jan 14, 2025	S108927
A2522098	Certificate of Analysis	Jan 14, 2025	S108927
A2522109	Certificate of Analysis	Jan 14, 2025	S108927
A2522110	Certificate of Analysis	Jan 14, 2025	S108927
A2522097	Certificate of Analysis	Jan 14, 2025	S108927
G2408384	Certificate of Analysis	Jun 26, 2024	S108927
G2408385	Certificate of Analysis	Jun 26, 2024	S108927
G2408404	Certificate of Analysis	Jun 26, 2024	S108927
E2409371	Certificate of Analysis	May 15, 2024	S108927
E2409372	Certificate of Analysis	May 15, 2024	S108927
E2409374	Certificate of Analysis	May 15, 2024	S108927
E2409376	Certificate of Analysis	May 15, 2024	S108927
E2409375	Certificate of Analysis	May 15, 2024	S108927
E2409373	Certificate of Analysis	May 15, 2024	S108927
E2406426	Certificate of Analysis	Apr 23, 2024	S108927
E2406217	Certificate of Analysis	Apr 23, 2024	S108927
E2406216	Certificate of Analysis	Apr 23, 2024	S108927
E2406228	Certificate of Analysis	Apr 23, 2024	S108927
E2406229	Certificate of Analysis	Apr 23, 2024	S108927
E2406427	Certificate of Analysis	Apr 23, 2024	S108927
B2429500	Certificate of Analysis	Feb 23, 2024	S108927
B2429503	Certificate of Analysis	Feb 23, 2024	S108927
B2429505	Certificate of Analysis	Feb 23, 2024	S108927
B2429507	Certificate of Analysis	Feb 23, 2024	S108927
B2429502	Certificate of Analysis	Feb 23, 2024	S108927
B2429501	Certificate of Analysis	Feb 23, 2024	S108927
B2429504	Certificate of Analysis	Feb 23, 2024	S108927
B2429506	Certificate of Analysis	Feb 23, 2024	S108927
J2325729	Certificate of Analysis	Oct 18, 2023	S108927
J2325718	Certificate of Analysis	Oct 18, 2023	S108927
J2325719	Certificate of Analysis	Oct 18, 2023	S108927
J2325727	Certificate of Analysis	Oct 18, 2023	S108927
J2325728	Certificate of Analysis	Oct 18, 2023	S108927
L2214057	Certificate of Analysis	Dec 21, 2022	S108927
K2216832	Certificate of Analysis	Nov 08, 2022	S108927
K2216828	Certificate of Analysis	Nov 08, 2022	S108927
K2216742	Certificate of Analysis	Nov 08, 2022	S108927
K2216831	Certificate of Analysis	Nov 08, 2022	S108927
K2216741	Certificate of Analysis	Nov 08, 2022	S108927
B2216491	Certificate of Analysis	Feb 09, 2022	S108927
B2216378	Certificate of Analysis	Feb 09, 2022	S108927
B2216492	Certificate of Analysis	Feb 09, 2022	S108927
B2216285	Certificate of Analysis	Feb 09, 2022	S108927

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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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Lingyue Zhang, Chuyang Y. Tang, Chu Tang, Huijing Wang, Jianchao Wang, Ruiying Li, Haopeng Feng, Dongbei Yue. (2023) Superhydrophobic Nanoparticles: An Efficiently Selective Adsorbent for Surfactant-Like Contaminants from Complex Wastewater Matrices. Small, (2305807).
2. Haolin Li, Fan Xu, Kun Cui, Bingyu Tian, Rui Dong, Mingjin Fan. (2023) Interfacial adsorption and tribological response of various functional groups on titanium surface: In-depth research conducted on the lubricating mechanism of liquid lubricants. TRIBOLOGY INTERNATIONAL, 189 (108885).
3. Xiaoyi Chen, Sameer Hussain, Yuhai Tang, Xi Chen, Sijie Zhang, Yue Wang, Pei Zhang, Ruixia Gao, Sicen Wang, Yi Hao. (2023) Two-in-one platform based on conjugated polymer for ultrasensitive ratiometric detection and efficient removal of perfluoroalkyl substances from environmental water. SCIENCE OF THE TOTAL ENVIRONMENT, 860 (160467).
4. Hong Pan, Ya-nan Bu, Wen-Jing Lian, Shu-lin Zhang, Shu-hong Sun, Jing Han. (2020) Solution and rheological properties of cationic cellulose/gemini surfactant: Effect of the alkyl chain and spacer length. CARBOHYDRATE POLYMERS, 238 (116200).
5. Jiao Zhe, Li Jingwen, Mo Liangji, Liang Jinming, Fan Hongbo. (2018) A molecularly imprinted chitosan doped with carbon quantum dots for fluorometric determination of perfluorooctane sulfonate. MICROCHIMICA ACTA, 185 (10): (1-9).
6. Ying Li, Danqing Wang, Shan Lu, Lijuan Zeng, Yu Wang, Wenting Song, Jianping Liu. (2018) Pramipexole nanocrystals for transdermal permeation: Characterization and its enhancement micro-mechanism. EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 124 (80).
7. Shaoyang Zhang, Guorong Zhu, Zhixiang Pan, Yi Wei, Zuoming Nie, Qing Sheng, Zhongyi Yang. (2024) Improving the production efficiency of L-threo-methylsulfonylphenylserine by removing acetaldehyde through aeration. PROCESS BIOCHEMISTRY, 144 (133).

Solution Calculators

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SKU	Size	Availability	Price
S108927-1g	1g	3	$12.90
S108927-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$31.90
S108927-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$93.90
S108927-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$262.90
S108927-500g	500g	1	$919.90

Sodium 1-octanesulfonate - for ion-pair chromatography,≥99%, high purity , CAS No.5324-84-5