sodium hexadecyl sulfate

• ChemBase ID: 111109
• Molecular Formular: C16H33NaO4S
• Molecular Mass: 344.48559
• Monoisotopic Mass: 344.19972482
• SMILES: [Na+].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1
• InChIKey: GGHPAKFFUZUEKL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hexadecyl sulfate
• IUPAC Traditional name: sodium hexadecyl sulfate; potassium hexadecyl sulfate
• Synonyms: n-Hexadecyl sulfate sodium salt; Sodium n-hexadecyl sulfate; SODIUM CETYLSULFATE, PASTE (25%); 正十六烷基硫酸钠

Database IDs

• CAS Number: 1120-01-0
• EC Number: 214-292-4
• MDL Number: MFCD00047766
• Beilstein Number: 3578850
• PubChem SID: 162106486
• PubChem CID: 23695542

CALCULATED PROPERTIES

• Acid pKa: -1.4508551
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8187444
• LogD (pH = 7.4): 3.818733
• Log P: 6.195132
• Molar Refractivity: 86.217 cm^3
• Polarizability: 35.39928 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 187-192°C

Safety Information

• RTECS: MM0225700
• TSCA Listed: 是

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05217774

MP Biomedicals Rare Chemical collection