(tetradecyloxy)sulfonic acid sodium

• ChemBase ID: 106182
• Molecular Formular: C14H30NaO4S
• Molecular Mass: 317.44037
• Monoisotopic Mass: 317.17624972
• SMILES: [Na].CCCCCCCCCCCCCCOS(=O)(=O)O
• Canonical SMILES: CCCCCCCCCCCCCCOS(=O)(=O)O.[Na]
• InChI: InChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17)
• InChIKey: JHWQZRARWFDALJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (tetradecyloxy)sulfonic acid sodium
• IUPAC Traditional name: potassium sodium tetradecyl sulfate
• Synonyms: 7-Ethyl-2-methyl-4-hendecanol sulfate sodium salt; Myristyl sulfate sodium salt; Natrium-myristyl-sulfat; Sodium myristyl sulfate; STDS; Tetradecyl sulfate sodium salt; SODIUM N-TETRADECYL SULFATE

Database IDs

• CAS Number: 1191-50-0
• PubChem SID: 162092978
• PubChem CID: 16211874

CALCULATED PROPERTIES

• Acid pKa: -1.4508551
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9296072
• LogD (pH = 7.4): 2.9295957
• Log P: 5.3059945
• Molar Refractivity: 78.136696 cm^3
• Polarizability: 31.836653 Å^3
• Polar Surface Area: 63.6 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• Risk Statements: R:47-36/37/38
• Safety Statements: S:26-28-46-36/37/39

Product Information

• Purity: 99%