Bis[2-(Acetoxy)Ethyl]Benzyldodecylammonium Chloride
[CAS# 93777-18-5]

Identification

• Name: Bis[2-(Acetoxy)Ethyl]Benzyldodecylammonium Chloride
• Synonyms: 1-[3-Acetoxy-1-(2-Acetoxyethyl)-1-Phenyl-Propyl]Dodecylammonium Chloride; 1-[3-Acetoxy-1-(2-Acetoxyethyl)-1-Phenylpropyl]Dodecylammonium Chloride; [1-Acetyloxy-3-(2-Acetyloxyethyl)-3-Phenyl-Pentadecan-4-Yl]Azanium Chloride
• Molecular Formula: C₂₇H₄₆ClNO₄
• Molecular Weight: 484.12
• CAS Registry Number: 93777-18-5
• EINECS: 298-047-7
• SMILES: C1=CC=CC=C1C(C([NH3+])CCCCCCCCCCC)(CCOC(=O)C)CCOC(=O)C.[Cl-]
• InChI: 1S/C27H45NO4.ClH/c1-4-5-6-7-8-9-10-11-15-18-26(28)27(19-21-31-23(2)29,20-22-32-24(3)30)25-16-13-12-14-17-25;/h12-14,16-17,26H,4-11,15,18-22,28H2,1-3H3;1H
• InChIKey: ZIRLDFQVOSWUQS-UHFFFAOYSA-N

Properties

• Boiling point: 543.4°C at 760 mmHg (Cal.)
• Flash point: 106.1°C (Cal.)