Choline 2-ethylhexanoate

Base Information

• Chemical Name: Choline 2-ethylhexanoate
• CAS No.: 68856-36-0
• Deprecated CAS: 62628-59-5
• Molecular Formula: C13H29NO3
• Molecular Weight: 247.37426
• European Community (EC) Number: 272-508-2
• DSSTox Substance ID: DTXSID00887530
• Mol file: 68856-36-0.mol

Synonyms:Choline 2-ethylhexanoate;68856-36-0;Choline 2-ethylhexanoate (1:1);EINECS 272-508-2;Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 2-ethylhexanoate (1:1);Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 2-ethylhexanoic acid (1:1);SCHEMBL501239;DTXSID00887530;Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 2-ethylhexanoicacid (1:1)

Chemical Property of Choline 2-ethylhexanoate

Chemical Property:

• Vapor Pressure: 0.027mmHg at 25°C
• Boiling Point: 228°C at 760 mmHg
• Flash Point: 116.6°C
• PSA: 60.36000
• LogP: 0.63760
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 247.21474379
• Heavy Atom Count: 17
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C(=O)[O-].C[N+](C)(C)CCO