Dodecanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol

Base Information

• Chemical Name: Dodecanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
• CAS No.: 39385-67-6
• Deprecated CAS: 162680-67-3,163750-05-8
• Molecular Formula: C17H36O6
• Molecular Weight: 318.4489
• European Community (EC) Number: 254-440-5
• DSSTox Substance ID: DTXSID50936724

Synonyms:EINECS 254-440-5;Dodecanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol;SCHEMBL324041;DTXSID50936724;Dodecanoic acid--2,2-bis(hydroxymethyl)propane-1,3-diol (1/1);162680-67-3

Chemical Property of Dodecanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol

Chemical Property:

• Vapor Pressure: 0.000661mmHg at 25°C
• Boiling Point: 443.2°Cat760mmHg
• Flash Point: 148°C
• PSA: 118.22000
• Density: 1.043g/cm³
• LogP: 1.93390
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 336.25118886
• Heavy Atom Count: 23
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)O.C(C(CO)(CO)CO)O

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