Benzene-1,3-dicarboxylic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octadecanoate

Base Information

• Chemical Name: Benzene-1,3-dicarboxylic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octadecanoate
• CAS No.: 68186-77-6
• Molecular Formula: C31H52O8
• Molecular Weight: 552.7398
• DSSTox Substance ID: DTXSID90987694

Synonyms:68186-77-6;DTXSID90987694;C18-H36-O2.x-(C8H6-O4.C5-H12-O3)x-;Benzene-1,3-dicarboxylic acid--3-hydroxy-2-(hydroxymethyl)-2-methylpropyl octadecanoate (1/1)

Chemical Property of Benzene-1,3-dicarboxylic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octadecanoate

Chemical Property:

• Vapor Pressure: 8.54E-11mmHg at 25°C
• Boiling Point: 469.7°Cat760mmHg
• Flash Point: 143.2°C
• PSA: 141.36000
• Density: g/cm³
• LogP: 6.86500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 23
• Exact Mass: 552.36621861
• Heavy Atom Count: 39
• Complexity: 506

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O

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