Bis(2-Hydroxy-1-Methylethyl)Methyl(Octadecyl)Ammonium Methyl Sulphate
[CAS# 94276-97-8]

Identification

• Name: Bis(2-Hydroxy-1-Methylethyl)Methyl(Octadecyl)Ammonium Methyl Sulphate
• Synonyms: [3-Hydroxy-1-(2-Hydroxy-1-Methyl-Ethyl)-2-Methyl-Propyl]-Octadecyl-Ammonium; Methyl Sulfate; [3-Hydroxy-1-(2-Hydroxy-1-Methylethyl)-2-Methylpropyl]-Octadecylammonium; Methyl Sulfate; [3-Hydroxy-1-(2-Hydroxy-1-Methyl-Ethyl)-2-Methyl-Propyl]-Stearyl-Ammonium
• Molecular Formula: C₂₆H₅₇NO₆S
• Molecular Weight: 511.80
• CAS Registry Number: 94276-97-8
• EINECS: 304-581-4
• SMILES: CO[S](=O)(=O)[O-].C(O)C(C([NH2+]CCCCCCCCCCCCCCCCCC)C(CO)C)C
• InChI: 1S/C25H53NO2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-25(23(2)21-27)24(3)22-28;1-5-6(2,3)4/h23-28H,4-22H2,1-3H3;1H3,(H,2,3,4)
• InChIKey: DQPJIGUURRWRDZ-UHFFFAOYSA-N

Properties

• Boiling point: 524.8°C at 760 mmHg (Cal.)
• Flash point: 13°C (Cal.)