sodium nonyl sulfate

• ChemBase ID: 302024
• Molecular Formular: C9H19NaO4S
• Molecular Mass: 246.29953
• Monoisotopic Mass: 246.09017437
• SMILES: CCCCCCCCCOS(=O)(=O)[O-].[Na+]
• Canonical SMILES: CCCCCCCCCOS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C9H20O4S.Na/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1
• InChIKey: FTWCSAMTIKSPAT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium nonyl sulfate
• IUPAC Traditional name: sodium nonyl sulfate
• Synonyms: n-Nonyl sulfate sodium salt; Sodium n-nonyl sulfate; 正壬基硫酸钠

Database IDs

• CAS Number: 1072-15-7
• EC Number: 214-002-6
• MDL Number: MFCD00024893
• Beilstein Number: 3748751

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 0.70676374
• LogD (pH = 7.4): 0.7067524
• Log P: 3.083151
• Molar Refractivity: 54.01 cm^3
• Polarizability: 22.560772 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• Acid pKa: -1.4508551
• H Acceptors: 3

PROPERTIES

Safety Information

• RTECS: WT1165000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%