ammonium dodecyl sulfate

• ChemBase ID: 109167
• Molecular Formular: C12H29NO4S
• Molecular Mass: 283.42796
• Monoisotopic Mass: 283.18172941
• SMILES: [NH4+].CCCCCCCCCCCCOS(=O)(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCOS(=O)(=O)[O-].[NH4+]
• InChI: InChI=1S/C12H26O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);1H3
• InChIKey: BTBJBAZGXNKLQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium dodecyl sulfate
• IUPAC Traditional name: ammonium @dodecyl sulfate; ammonium dodecyl sulfate
• Synonyms: AMMONIUM LAURYL SULFATE, 30% SOLUTION; ? monododecyl ester, ammonium salt; ? Ammonium dodecyl sulfate; Ammonium lauryl sulfate; Ammonium dodecyl sulfate

Database IDs

• CAS Number: 2235-54-3
• EC Number: 218-793-9
• MDL Number: MFCD00050675
• PubChem SID: 162094907
• PubChem CID: 16700
• Chemspider ID: 15835
• Unique Ingredient Identifier: Q7AO2R1M0B
• Wikipedia Title: Ammonium_lauryl_sulfate

CALCULATED PROPERTIES

• Acid pKa: -1.4508551
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0404696
• LogD (pH = 7.4): 2.0404584
• Log P: 4.4168572
• Molar Refractivity: 67.813 cm^3
• Polarizability: 28.054403 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: yellowish viscous liquid
• Boiling Point: 418°C
• Density: 1.02 g/mol; 1.03 g/ml

Safety Information

• RTECS: WT0825000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36
• Safety Statements: S:26

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05210087

MP Biomedicals Rare Chemical collection