1,2,4-Benzenetricarboxylic acid, monobutyl ester

Base Information

• Chemical Name: 1,2,4-Benzenetricarboxylic acid, monobutyl ester
• CAS No.: 28904-29-2
• Molecular Formula: C13H14O6
• Molecular Weight: 266.2467
• European Community (EC) Number: 257-105-1,249-301-0
• DSSTox Substance ID: DTXSID701021084
• Nikkaji Number: J152.148I
• Wikidata: Q82863449
• Mol file: 28904-29-2.mol

Synonyms:1,2,4-Benzenetricarboxylic acid, monobutyl ester;28904-29-2;Butyl dihydrogen benzene-1,2,4-tricarboxylate;EINECS 257-105-1;1,2,4-Benzenetricarboxylic acid, butyl ester;51281-35-7;EINECS 249-301-0;SCHEMBL4138132;4-(Butoxycarbonyl)isophthalic acid;DTXSID701021084;91910-95-1

Chemical Property of 1,2,4-Benzenetricarboxylic acid, monobutyl ester

Chemical Property:

• Vapor Pressure: 4.68E-10mmHg at 25°C
• Boiling Point: 480.8°Cat760mmHg
• Flash Point: 184.1°C
• PSA: 100.90000
• Density: 1.318g/cm³
• LogP: 2.03990
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 266.07903816
• Heavy Atom Count: 19
• Complexity: 351

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O