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| | 2,4-Dimethylbenzoic acid Basic information |
| Product Name: | 2,4-Dimethylbenzoic acid | | Synonyms: | DiMethylbenzoic Aci;2,4-DiMethylbenzoic Acid, 97+%;2,4-dimethyl-benzoicaci;4-Carboxy-1,3-dimethylbenzene;Benzoicacid,2,4-dimethyl-;RARECHEM AL BO 0327;M-XYLENE-4-CARBOXYLIC ACID;2,4-DIMETHYLBENZOIC ACID | | CAS: | 611-01-8 | | MF: | C9H10O2 | | MW: | 150.17 | | EINECS: | 210-246-2 | | Product Categories: | CARBOXYLICACID;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organic acids | | Mol File: | 611-01-8.mol |  |
| | 2,4-Dimethylbenzoic acid Chemical Properties |
| Melting point | 124-126 °C (lit.) | | Boiling point | 267 °C/727 mmHg (lit.) | | density | 1.0937 (estimate) | | refractive index | 1.5222 (estimate) | | Fp | 154°C | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | Crystalline Powder | | pka | pKa: 4.217(25°C) | | color | White | | Water Solubility | 0.16g/L(25 ºC) | | BRN | 971589 | | InChI | 1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11) | | InChIKey | BKYWPNROPGQIFZ-UHFFFAOYSA-N | | SMILES | Cc1ccc(c(C)c1)C(O)=O | | CAS DataBase Reference | 611-01-8(CAS DataBase Reference) | | NIST Chemistry Reference | Benzoic acid, 2,4-dimethyl-(611-01-8) | | EPA Substance Registry System | Benzoic acid, 2,4-dimethyl- (611-01-8) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37 | | WGK Germany | 3 | | TSCA | TSCA listed | | HS Code | 29163900 | | Storage Class | 11 - Combustible Solids |
| | 2,4-Dimethylbenzoic acid Usage And Synthesis |
| Chemical Properties | white crystalline powder | | Uses | 2,4-Dimethylbenzoic acid was used in capillary electrophoretic separation of α-, β-, γ- and δ-cyclodextrins. | | Definition | ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 4. | | General Description | 2,4-Dimethylbenzoic acid has antibacterial activity. It is a metabolite of pseudocumene (1,2,4-trimethylbenzene). | | Purification Methods | Crystallise the acid from EtOH or H2O, and sublime it in a vacuum. [Beilstein 9 H 531, 9 III 2436, 9 IV 1801.] |
| | 2,4-Dimethylbenzoic acid Preparation Products And Raw materials |
| Preparation Products | 3,4-Dimethylbenzoic acid-->2,4-Dimethylbromobenzene-->2-bromomethyl-4-methyl-benzoic acid methyl ester-->3,3',5,5'-TETRAMETHYLBIPHENYL-->1,5-Dibromo-2,4-dimethylbenzene-->2-Methyl-1,4-benzenedicarboxylic acid-->(S)-4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate-->5-(chlorosulfonyl)-2,4-dimethylbenzoic acid-->4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate |
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