sodium decyl sulfate

• ChemBase ID: 156643
• Molecular Formular: C10H21NaO4S
• Molecular Mass: 260.32611
• Monoisotopic Mass: 260.10582443
• SMILES: CCCCCCCCCCOS(=O)(=O)[O-].[Na+]
• Canonical SMILES: CCCCCCCCCCOS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
• InChIKey: XZTJQQLJJCXOLP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium decyl sulfate
• IUPAC Traditional name: sodium decyl sulfate
• Synonyms: n-Decyl sulfate sodium salt; Sodium n-decyl sulfate; Decyl sulfate sodium salt; Sodium decyl sulfate; 正癸基硫酸钠; 硫酸癸酯 钠盐; 癸烷基硫酸钠

Database IDs

• CAS Number: 142-87-0
• EC Number: 205-568-5
• MDL Number: MFCD00041881
• Beilstein Number: 3576860
• PubChem SID: 162250780; 24886194
• PubChem CID: 23665771

CALCULATED PROPERTIES

• Acid pKa: -1.4508551
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1513324
• LogD (pH = 7.4): 1.151321
• Log P: 3.5277197
• Molar Refractivity: 58.611 cm^3
• Polarizability: 24.390018 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λ: 210 nm Amax: 0.05; λ: 220 nm Amax: 0.04; λ: 230 nm Amax: 0.03; λ: 260 nm Amax: 0.02; λ: 500 nm Amax: 0.02

Safety Information

• RTECS: WS7625000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-36/37/38; 22-38-41
• Safety Statements: 26-36/37; 26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H318
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (T); 99%
• Grade: for ion pair chromatography; for surfactant analysis; puriss. p.a.
• Suitability: corresponds to standard for filter test
• λ: 10 % in H2O
• Linear Formula: CH3(CH2)9OSO3Na