2,2'-(2,5-Dimethyl-1,4-phenylene)diacetic acid
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
Also Known As: (2,5-dimethyl-p-phenylene)-di-acetic acid|NCGC00019081-01|NCGC00019081-02|2,2'-(2,5-Dimethyl-1,4-phenylene)diacetic acid|2,2'-(2,5-dimethylbenzene-1,4-diyl)diacetic acid|2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CAS: 39800-44-7
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.0892 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 |
| Monoisotopic Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 39800-44-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1CC(=O)O)C)CC(=O)O |
| InChIKey | KHLBVGJKSPRIHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Coatings & Adhesives (1 patents)
Photographic Chemicals (1 patents)
Plastic Additives (1 patents)
Polymer Intermediates (5 patents)
Product Overview
2,2'-(2,5-Dimethyl-1,4-phenylene)diacetic acid (CAS 39800-44-7), with molecular formula C12H14O4 and molecular weight 222.0892 g/mol. IUPAC: 2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
2,2'-(2,5-Dimethyl-1,4-phenylene)diacetic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »