sodium 4-dodecylbenzene-1-sulfonate

• ChemBase ID: 104955
• Molecular Formular: C18H29NaO3S
• Molecular Mass: 348.47583
• Monoisotopic Mass: 348.17351007
• SMILES: [Na+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1
• InChIKey: JHJUUEHSAZXEEO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 4-dodecylbenzene-1-sulfonate
• IUPAC Traditional name: potassium 4-dodecylbenzenesulfonate; sodium 4-dodecylbenzenesulfonate
• Synonyms: Dodecylbenzenesulfonic acid sodium salt; Sodium Dodecylbenzenesulfonate; Abeson Nam; Conoco C-50; Santomerse 3; Sulframin 85; DODECYLBENZENESULFONIC ACID SODIUM SALT; Sodium dodecylbenzenesulfonate; 十二烷基苯磺酸 钠盐; 十二烷基苯磺酸钠

Database IDs

• CAS Number: 25155-30-0
• EC Number: 246-680-4
• MDL Number: MFCD00011508
• Beilstein Number: 4171051
• PubChem SID: 24893695; 24857418; 162091746
• PubChem CID: 4289524

CALCULATED PROPERTIES

• Acid pKa: -1.8357934
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.181435
• LogD (pH = 7.4): 4.1814303
• Log P: 6.5578294
• Molar Refractivity: 91.211 cm^3
• Polarizability: 36.827984 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: light yellow powder

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: DB6825000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 22-37/38-41; R:22-36/37/38
• Safety Statements: 26-27-36/37/39; S:25-26-29-36/37/39-61
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ~80%; 80-85%
• Grade: technical grade
• Linear Formula: CH3(CH2)11C6H4SO3Na

DETAILS

MP Biomedicals - 02157889

Sodium Salt
Purity: 80-85%
Light yellow powder.

Sigma Aldrich - D2525

Quality
纯度基于总的烷基苯磺酸盐含量。存在高级和低级同系物。

Sigma Aldrich - 289957

Frequently Asked Questions
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Packaging
1 kg in poly bottle
10 kg in fiber drum
25, 500 g in poly bottle