sodium octyl sulfate

• ChemBase ID: 77916
• Molecular Formular: C8H17NaO4S
• Molecular Mass: 232.27295
• Monoisotopic Mass: 232.07452431
• SMILES: O(CCCCCCCC)S(=O)(=O)[O-].[Na+]
• 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
• InChIKey: WFRKJMRGXGWHBM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium octyl sulfate
• IUPAC Traditional name: sodium n-octyl sulfate; potassium n-octyl sulfate
• Synonyms: Sodium octyl sulfate; Octyl sulphate sodium salt; Sodium octyl sulphate 99%; OCTYL SULFATE; SODIUM OCTYLSULFATE, 40% SOLUTION; Octyl sulfate sodium salt; n-Octyl sulfate sodium salt; Sodium n-octyl sulfate; 辛基硫酸盐 钠盐; 辛基硫酸钠; 正辛基硫酸钠

Database IDs

• CAS Number: 142-31-4
• EC Number: 205-535-5
• MDL Number: MFCD00007470
• Beilstein Number: 3658635
• PubChem SID: 24886781; 162042757; 24897991
• PubChem CID: 2735107

CALCULATED PROPERTIES

• Acid pKa: -1.4508551
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2621951
• LogD (pH = 7.4): 0.26218373
• Log P: 2.6385825
• Molar Refractivity: 49.409 cm^3
• Polarizability: 20.734047 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble20 mg/mL, very slightly hazy, colorless
• Melting Point: 195 °C (dec.)(lit.); 210°C; ca 195°C dec.
• Absorption Wavelength: λ: 210 nm Amax: 0.1; λ: 220 nm Amax: 0.06; λ: 230 nm Amax: 0.04; λ: 260 nm Amax: 0.02; λ: 500 nm Amax: 0.02

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant
• RTECS: WT1175000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~95%; ≥95.0% (S); ≥97.0%; ≥99.0% (T); 95%; 99%
• Grade: for ion pair chromatography
• Suitability: corresponds to standard for filter test; corresponds to standard for RP gradient test
• Description: anionic
• λ: 10 % in H2O
• Linear Formula: CH3(CH2)7OSO3Na

DETAILS

MP Biomedicals - 02155980

Sodium Salt

MP Biomedicals - 05218056

MP Biomedicals Rare Chemical collection

Sigma Aldrich - O4003

包装
1, 5, 25 g in poly bottle