Bis(2-Hydroxyethyl)[2-Hydroxy-3-(Octyloxy)Propyl]Methylammonium Methyl Sulphate
[CAS# 70776-69-1]

Identification

• Name: Bis(2-Hydroxyethyl)[2-Hydroxy-3-(Octyloxy)Propyl]Methylammonium Methyl Sulphate
• Synonyms: [3-Hydroxy-1,1-Bis(2-Hydroxyethyl)-4-Octoxy-Butyl]Ammonium; Methyl Sulfate; [3-Hydroxy-1,1-Bis(2-Hydroxyethyl)-4-Octoxybutyl]Ammonium; Methyl Sulfate; [1,5-Dihydroxy-3-(2-Hydroxyethyl)-6-Octoxy-Hexan-3-Yl]Azanium; Methyl Sulfate
• Molecular Formula: C₁₇H₃₉NO₈S
• Molecular Weight: 417.56
• CAS Registry Number: 70776-69-1
• EINECS: 274-875-4
• SMILES: CO[S]([O-])(=O)=O.C(C([NH3+])(CCO)CCO)C(O)COCCCCCCCC
• InChI: 1S/C16H35NO4.CH4O4S/c1-2-3-4-5-6-7-12-21-14-15(20)13-16(17,8-10-18)9-11-19;1-5-6(2,3)4/h15,18-20H,2-14,17H2,1H3;1H3,(H,2,3,4)
• InChIKey: SZHHWKDTJIDVMK-UHFFFAOYSA-N

Properties

• Boiling point: 614.2°C at 760 mmHg (Cal.)
• Flash point: 325.3°C (Cal.)