sodium octadecyl sulfate

• ChemBase ID: 145983
• Molecular Formular: C18H37NaO4S
• Molecular Mass: 372.53875
• Monoisotopic Mass: 372.23102495
• SMILES: CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
• Canonical SMILES: CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C18H38O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1
• InChIKey: NWZBFJYXRGSRGD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium octadecyl sulfate
• IUPAC Traditional name: sodium octadecyl sulfate
• Synonyms: Octadecyl sulfate sodium salt; n-Octadecyl sulfate sodium salt; Sodium n-octadecyl sulfate; 十八烷基硫酸酯 钠盐; 正十八烷基硫酸钠

Database IDs

• CAS Number: 1120-04-3
• EC Number: 214-295-0
• MDL Number: MFCD00007469
• Beilstein Number: 3640871
• PubChem SID: 162240183; 24857689
• PubChem CID: 23673604

CALCULATED PROPERTIES

• Acid pKa: -1.4508551
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.707882
• LogD (pH = 7.4): 4.7078705
• Log P: 7.084269
• Molar Refractivity: 95.419 cm^3
• Polarizability: 39.0771 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 176-180°C; 211-213 °C(lit.)

Safety Information

• RTECS: WT1170000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 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: 93%; 98% (dry wt.), water <7%
• Grade: technical grade
• Linear Formula: CH3(CH2)17OSO3Na

DETAILS

Sigma Aldrich - 293946

Packaging
1 g in glass bottle