Introduction：Basic information about 2,4,5-Trimethylbenzoic acid CAS 528-90-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,4,5-Trimethylbenzoic acid Basic information
| Product Name: | 2,4,5-Trimethylbenzoic acid |
| Synonyms: | RARECHEM AL BO 1469;2,4,5-TRIMETHYLBENZOIC ACID;2,4,5-trimethyl-benzoicaci;2,4,5-Trimethyl;Benzoicacid,2,4,5-trimethyl-;Durylic acid;durylicacid;Cumylic acid |
| CAS: | 528-90-5 |
| MF: | C10H12O2 |
| MW: | 164.2 |
| EINECS: | 200-002-4 |
| Product Categories: | Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;C10;Carbonyl Compounds;Carboxylic Acids |
| Mol File: | 528-90-5.mol |
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2,4,5-Trimethylbenzoic acid Chemical Properties
| Melting point | 150-153 °C (lit.) |
| Boiling point | 288.61°C (estimate) |
| density | 1.0670 (estimate) |
| refractive index | 1.5198 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 4.24±0.25(Predicted) |
| form | powder to crystal |
| color | White to Almost white |
| InChI | InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12) |
| InChIKey | QENJZWZWAWWESF-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(C)=C(C)C=C1C |
| CAS DataBase Reference | 528-90-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 2,4,5-trimethyl-(528-90-5) |
| EPA Substance Registry System | 2,4,5-Trimethylbenzoic acid (528-90-5) |
Safety Information
| Hazard Codes | Xi |
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| RTECS | DI0887000 |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 13 - Non Combustible Solids |
2,4,5-Trimethylbenzoic acid Usage And Synthesis
| Chemical Properties | White powder |
| Uses | Crystal structure of 2,4,5-trimethylbenzoic acid (2,4,5-TMBA) has been determined by X-ray studies. Two molecules of 2,4,5-TMBA on association affords centrosymmetric carboxyl dimers. 2,4,5-TMBA can be synthesized from pseudocumene. Vibrational analysis of monomeric and dimeric foms of 2,4,5-TMBA have been reported. |
| General Description | Crystal structure of 2,4,5-trimethylbenzoic acid (2,4,5-TMBA) has been determined by X-ray studies. Two molecules of 2,4,5-TMBA on association affords centrosymmetric carboxyl dimers. 2,4,5-TMBA can be synthesized from pseudocumene. Vibrational analysis of monomeric and dimeric foms of 2,4,5-TMBA have been reported. |
2,4,5-Trimethylbenzoic acid Preparation Products And Raw materials
