Tris(1-methylheptyl) benzene-1,2,4-tricarboxylate

Base Information

• Chemical Name: Tris(1-methylheptyl) benzene-1,2,4-tricarboxylate
• CAS No.: 59431-98-0
• Molecular Formula: C33H54 O6
• Molecular Weight: 546.77826
• European Community (EC) Number: 261-759-3
• DSSTox Substance ID: DTXSID30866757
• Nikkaji Number: J298.157B
• Mol file: 59431-98-0.mol

Synonyms:59431-98-0;Tris(1-methylheptyl) trimellitate;EINECS 261-759-3;Tris(1-methylheptyl) benzene-1,2,4-tricarboxylate;1,2,4-Benzenetricarboxylic acid, tris(1-methylheptyl) ester;1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester;1,2,4-Benzenetricarboxylic acid, tricapryl ester;trioctan-2-yl benzene-1,2,4-tricarboxylate;SCHEMBL2910662;DTXSID30866757;Tris-(1-methylheptyl)benzene-1,2,4-tricarboxylate;1,2,4-Benzenetricarboxylic acid tris(1-methylheptyl) ester

Chemical Property of Tris(1-methylheptyl) benzene-1,2,4-tricarboxylate

Chemical Property:

• Vapor Pressure: 1.13E-13mmHg at 25°C
• Boiling Point: 585°C at 760 mmHg
• Flash Point: 238.3°C
• PSA: 78.90000
• Density: 0.992g/cm³
• LogP: 9.23370
• XLogP3: 11.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 24
• Exact Mass: 546.39203944
• Heavy Atom Count: 39
• Complexity: 677

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)OC(=O)C1=CC(=C(C=C1)C(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC