Neodecanoic acid, hexadecyl ester

Base Information

• Chemical Name: Neodecanoic acid, hexadecyl ester
• CAS No.: 67749-11-5
• Molecular Formula: C26H52O2
• Molecular Weight: 396.78
• DSSTox Substance ID: DTXSID80218020
• Wikidata: Q83094759
• Mol file: 67749-11-5.mol

Synonyms:Hexanate D;Neodecanoic acid, hexadecyl ester;Hexadecyl neodecanoate;Octanoic acid, 2,2-dimethyl-, hexadecyl ester;67749-11-5;SCHEMBL1490324;DTXSID80218020;LS-96066

Chemical Property of Neodecanoic acid, hexadecyl ester

Chemical Property:

• Vapor Pressure: 2.03E-07mmHg at 25°C
• Boiling Point: 424.7°Cat760mmHg
• Flash Point: 226.2°C
• Density: 0.86g/cm³
• XLogP3: 11.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 22
• Exact Mass: 396.396730897
• Heavy Atom Count: 28
• Complexity: 335

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)C(C)(C)CCCCCC