Trimethylolethane triheptanoate

Base Information

• Chemical Name: Trimethylolethane triheptanoate
• CAS No.: 23336-49-4
• Molecular Formula: C26H48 O6
• Molecular Weight: 456.6557
• DSSTox Substance ID: DTXSID10946001
• Nikkaji Number: J106.212C
• Mol file: 23336-49-4.mol

Synonyms:Trimethylolethane triheptanoate;23336-49-4;Heptanoic acid, 2-methyl-2-(((1-oxoheptyl)oxy)methyl)-1,3-propanediyl ester;Heptanoic acid, 1,1'-(2-methyl-2-(((1-oxoheptyl)oxy)methyl)-1,3-propanediyl) ester;Heptanoic acid, 2-methyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester;Trimethylolethane trienanthate;DTXSID10946001;C26H48O6;C26-H48-O6;2-[(Heptanoyloxy)methyl]-2-methylpropane-1,3-diyl diheptanoate;Heptanoic acid, triester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol

Chemical Property of Trimethylolethane triheptanoate

Chemical Property:

• Vapor Pressure: 7.84E-11mmHg at 25°C
• Boiling Point: 517.9°Cat760mmHg
• Flash Point: 215.1°C
• PSA: 78.90000
• Density: 0.975g/cm³
• LogP: 6.53350
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 24
• Exact Mass: 456.34508925
• Heavy Atom Count: 32
• Complexity: 433

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)OCC(C)(COC(=O)CCCCCC)COC(=O)CCCCCC