Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol

Base Information

• Chemical Name: Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
• CAS No.: 68855-17-4
• Deprecated CAS: 191807-43-9
• Molecular Formula: C13H28O5
• Molecular Weight: 264.3584
• European Community (EC) Number: 614-740-2
• DSSTox Substance ID: DTXSID10940822
• Mol file: 68855-17-4.mol

Synonyms:Heptanoic acid, trimethylolpropane ester;SCHEMBL11276823;DTXSID10940822;Heptanoic acid--2-ethyl-2-(hydroxymethyl)propane-1,3-diol (1/1);Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol;191807-43-9

Chemical Property of Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol

Chemical Property:

• Vapor Pressure: 0.000155mmHg at 25°C
• Boiling Point: 295.7°Cat760mmHg
• Flash Point: 147.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 264.19367399
• Heavy Atom Count: 18
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(=O)O.CCC(CO)(CO)CO