sodium dodecane-1-sulfonate

• ChemBase ID: 105202
• Molecular Formular: C12H25NaO3S
• Molecular Mass: 272.37987
• Monoisotopic Mass: 272.14220994
• SMILES: [Na+].CCCCCCCCCCCCS(=O)(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C12H26O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
• InChIKey: DAJSVUQLFFJUSX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium dodecane-1-sulfonate
• IUPAC Traditional name: sodium dodecanesulfonate ion; potassium dodecane-1-sulfonate
• Synonyms: 1-Dodecanesulfonic acid sodium salt; Sodium 1-dodecanesulfonate; 1-DODECANESULFONIC ACID SODIUM SALT; 1-十二烷基磺酸 钠盐; 1-十二烷磺酸钠; 正十二烷磺酸钠

Database IDs

• CAS Number: 2386-53-0
• EC Number: 219-200-6
• MDL Number: MFCD00007527
• Beilstein Number: 3919536
• PubChem SID: 24867644; 24893933; 162092067; 24846734
• PubChem CID: 23665726

CALCULATED PROPERTIES

• Acid pKa: -0.5855428
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6959497
• LogD (pH = 7.4): 1.6958662
• Log P: 4.072264
• Molar Refractivity: 66.2152 cm^3
• Polarizability: 27.338978 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C; >300°C
• Absorption Wavelength: λ: 210 nm Amax: 0.05; λ: 220 nm Amax: 0.03; λ: 230 nm Amax: 0.02; λ: 500 nm Amax: 0.02

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; ≥99.0% (T); 99%
• Grade: puriss. p.a.; ReagentPlus®
• Suitability: corresponds to standard for filter test; corresponds to standard for RP gradient test
• Description: anionic
• λ: 5 % in H2O (50°C)
• Linear Formula: CH3(CH2)11SO3Na

DETAILS

MP Biomedicals - 02159042

Sodium Salt
Crystalline

Sigma Aldrich - 106437

General description
Surfactant standard.
Packaging
1 g in glass bottle
Legal Information
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