1,2-Benzenedicarboxylic acid, mono(carboxymethyl) ester

Base Information

• Chemical Name: 1,2-Benzenedicarboxylic acid, mono(carboxymethyl) ester
• CAS No.: 30435-30-4
• Molecular Formula: C10H8 O6
• Molecular Weight: 224.17
• DSSTox Substance ID: DTXSID90184520
• Wikidata: Q83055431
• Mol file: 30435-30-4.mol

Synonyms:Mono(carboxymethyl) Phthalate;30435-30-4;1,2-Benzenedicarboxylic acid, mono(carboxymethyl) ester;2-(carboxymethoxycarbonyl)benzoic acid;Glycolyl Hydrogen Phthalate;1,2-Benzenedicarboxylic Acid 1-(Carboxymethyl) Ester;1,2-Benzenedicarboxylic Acid Mono(carboxymethyl) Ester;Phthalic Ecid monoester with Glycolic Acid;DTXSID90184520

Chemical Property of 1,2-Benzenedicarboxylic acid, mono(carboxymethyl) ester

Chemical Property:

• Melting Point: 139 - 142°C
• Boiling Point: 515.2±35.0 °C(Predicted)
• PKA: 2.49±0.10(Predicted)
• PSA: 100.90000
• Density: 1.484±0.06 g/cm3(Predicted)
• LogP: 0.62620
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Acetonitrile (Slightly), DMF (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 224.03208797
• Heavy Atom Count: 16
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

Mono(carboxymethyl)Phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)C(=O)OCC(=O)O
• Uses: An oxidative metabolite of Di-n-octyl Phthalate (D481750).