Choline 2-Ethylhexanoate
[CAS# 68856-36-0]

Identification

• Name: Choline 2-Ethylhexanoate
• Synonyms: 2-Ethylhexanoate; 2-Hydroxyethyl-Trimethyl-Ammonium; 2-Ethylhexanoate; 2-Hydroxyethyl-Trimethylammonium; 2-Ethylhexanoate; 2-Hydroxyethyl-Trimethyl-Azanium
• Molecular Formula: C₁₃H₂₉NO₃
• Molecular Weight: 247.38
• CAS Registry Number: 68856-36-0
• EINECS: 272-508-2
• SMILES: C(C(C([O-])=O)CC)CCC.C([N+](C)(C)C)CO
• InChI: 1S/C8H16O2.C5H14NO/c1-3-5-6-7(4-2)8(9)10;1-6(2,3)4-5-7/h7H,3-6H2,1-2H3,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1
• InChIKey: XUZNXNABRSCKOA-UHFFFAOYSA-M

Properties

• Boiling point: 228°C at 760 mmHg (Cal.)
• Flash point: 116.6°C (Cal.)