(dodecyloxy)sulfonic acid sodium

• ChemBase ID: 131050
• Molecular Formular: C12H26NaO4S
• Molecular Mass: 289.38721
• Monoisotopic Mass: 289.14494959
• SMILES: CCCCCCCCCCCCOS(=O)(=O)O.[Na]
• Canonical SMILES: CCCCCCCCCCCCOS(=O)(=O)O.[Na]
• InChI: InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15)
• InChIKey: FMWAXKQEIXRUTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dodecyloxy)sulfonic acid sodium
• IUPAC Traditional name: N-dodecyl sulfate sodium
• Synonyms: Lauryl-1-14C sulfate sodium salt; SDS; Sodium dodecyl sulfate-1-14C

Database IDs

• CAS Number: 155614-07-6
• MDL Number: MFCD00214412
• PubChem SID: 162225328; 24896321
• PubChem CID: 6330930

CALCULATED PROPERTIES

• Acid pKa: -1.4508551
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0404696
• LogD (pH = 7.4): 2.0404584
• Log P: 4.4168572
• Molar Refractivity: 68.9347 cm^3
• Polarizability: 28.167126 Å^3
• Polar Surface Area: 63.6 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: aqueous solution

Safety Information

• European Hazard Symbols: R; Harmful (Xn)
• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• Risk Statements: 21/22-36/37/38
• Safety Statements: 26-36
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

Product Information

• Extent of Labeling: ≥10 mCi per mmol