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

Base Information

• Chemical Name: Benzene-1,3-dicarboxylic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] nonanoate
• CAS No.: 68186-58-3
• Molecular Formula: C22H34O8
• Molecular Weight: 426.50056
• DSSTox Substance ID: DTXSID70987692
• Mol file: 68186-58-3.mol

Synonyms:68186-58-3;DTXSID70987692;C9-H18-O2.x-(C8H6-O4.C5-H12-O3)x-;Benzene-1,3-dicarboxylic acid--3-hydroxy-2-(hydroxymethyl)-2-methylpropyl nonanoate (1/1)

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

Chemical Property:

• Vapor Pressure: 5.38E-06mmHg at 25°C
• Boiling Point: 341.2°C at 760 mmHg
• Flash Point: 113.2°C
• PSA: 141.36000
• LogP: 3.35410
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 14
• Exact Mass: 426.22536804
• Heavy Atom Count: 30
• Complexity: 391

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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