Sodium Octyl Sulfate

• CAS: 142-31-4
• Catalog Number: ACM142314
• Category: Anionic Surfactants
• Molecular Weight: 232.27
• Molecular Formula: C8H17NaO4S
• Description: Liquid
• Synonyms: Octyl sodium sulfate; SOS; Sodium capryl sulfate
• IUPAC Name: sodium;octyl sulfate
• Canonical SMILES: CCCCCCCCOS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C8H18O4S.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
• InChI Key: WFRKJMRGXGWHBM-UHFFFAOYSA-M
• Melting Point: 195 °C (dec.) (lit.)
• Density: 1.04 g/cm³
• Solubility: Soluble in water (20 mg/mL)
• Appearance: Powder
• Complexity: 198
• Covalently-Bonded Unit Count: 2
• EC Number: 205-535-5
• Exact Mass: 232.07452447
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCCOS(=O)(=O)[O-].[Na+]
• MDL Number: MFCD00007470
• Monoisotopic Mass: 232.07452447
• Physical State: Solid
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 74.8 Ų
• UNII: 6RZL727210