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| | 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 |  |
| | 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) |
| 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 |
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