sodium decane-1-sulfonate

• ChemBase ID: 104879
• Molecular Formular: C10H21NaO3S
• Molecular Mass: 244.32671
• Monoisotopic Mass: 244.11090981
• SMILES: [Na+].CCCCCCCCCCS(=O)(=O)[O-]
• Canonical SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C10H22O3S.Na/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
• InChIKey: AIMUHNZKNFEZSN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium decane-1-sulfonate
• IUPAC Traditional name: sodium decane-1-sulfonate; potassium decane-1-sulfonate
• Synonyms: Sodium 1-decanesulfonate; 1-Decanesulfonic acid sodium salt; Sodium decane-1-sulfonate; N-Decylsulfonic Acid sodium salt; 1-DECANESULFONIC ACID SODIUM SALT; N-Decylsulfonic Acid, sodium salt; 1-DECANESULFONIC ACID SODIUM SALT, HPLC GRADE; 1-癸烷磺酸 钠盐; 1-癸烷磺酸钠; 正癸烷磺酸钠

Database IDs

• CAS Number: 13419-61-9
• EC Number: 236-525-9
• MDL Number: MFCD00007526
• Beilstein Number: 3918920
• PubChem SID: 24893217; 24858489; 24893753; 162092278; 24858488
• PubChem CID: 2724181

CALCULATED PROPERTIES

• Acid pKa: -0.5855428
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.80681235
• LogD (pH = 7.4): 0.8067289
• Log P: 3.1831267
• Molar Refractivity: 57.0132 cm^3
• Polarizability: 23.665571 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: : soluble200 mg, clear, colorless (in 4 mL H2O); H2O: soluble0.05 g/mL, clear
• Melting Point: > 300°C; >300 °C(lit.); >300°C
• Absorption Wavelength: λ: 210 nm Amax: 0.05; λ: 220 nm Amax: 0.03; λ: 230 nm Amax: 0.02; λ: 260 nm Amax: 0.02; λ: 500 nm Amax: 0.02

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~98%; ≥96.0% (T); ≥99.0%; ≥99.0% (T); 98%; 99% (dry wt.), water <1.5%
• Grade: for ion pair chromatography; HPLC; purum
• Suitability: corresponds to standard for filter test; corresponds to standard for RP gradient test
• Description: anionic
• Impurities: ≤0.001% Phosphorus (P); ≤0.1% Insoluble matter
• Cation Traces: Al: ≤0.0005%; Ca: ≤0.0005%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.0005%; NH4+: ≤0.05%; Pb: ≤0.001%; Zn: ≤0.0005%
• Antion Traces: chloride (Cl-): ≤0.05%
• λ: 5 % in H2O
• Linear Formula: CH3(CH2)8CH2SO3Na

DETAILS

MP Biomedicals - 02157524

Sodium Salt
Ion-associating reagent for HPLC,^1 useful for analysis of peptides and proteins.^2

Sigma Aldrich - D3412

Application
HPLC（包括肽和蛋白质）分析的离子缔合试剂。
包装
5, 25, 100 g in poly bottle

Sigma Aldrich - D0181

Application
HPLC（包括肽和蛋白质）分析的离子缔合试剂。
包装
5, 25 g in glass bottle

Sigma Aldrich - 30633

Application
Ion-associating reagent for HPLC, including analyses of peptides and proteins.
Packaging
5, 10 g in glass bottle

Sigma Aldrich - 30631

Application
Ion-associating reagent for HPLC, including analyses of peptides and proteins.

Sigma Aldrich - 30635

Application
Ion-associating reagent for HPLC, including analyses of peptides and proteins.

REFERENCES

• Bidlingmeyer, B.A., et al., Adv. Chromatogr. (Houston) , 14 : 435 (1979).
• Hancock, W.S., et al., J. Chromatogr. , 11 : 291 (1978).