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| | 4-(Methylthio)benzoic acid Chemical Properties |
| Melting point | 192-196 °C(lit.) | | Boiling point | 319.0±25.0 °C(Predicted) | | density | 1.28±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | form | powder to crystal | | pka | 4.28±0.10(Predicted) | | color | White to Light yellow | | BRN | 2082809 | | InChI | InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) | | InChIKey | KWHCPERWLHBLOT-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=C(SC)C=C1 | | LogP | 2.740 | | CAS DataBase Reference | 13205-48-6(CAS DataBase Reference) |
| | 4-(Methylthio)benzoic acid Usage And Synthesis |
| Synthesis | Preparation of 4-methylthiobenzoic acid: 
In a 10mL round-bottom flask, 0.77g of 4-methylthiobenzyl alcohol and 2g of diethylene glycol dimethyl ether were added sequentially. The resulting mixture was reacted in an ultrasonic reactor under open-air ultrasonic radiation at 40kHz/30W/70℃ for 30 minutes. The diethylene glycol dimethyl ether was removed under reduced pressure, and recrystallization yielded 0.79g of 4-methylthiobenzoic acid, with a yield of 95%. An environmentally friendly method for synthesizing the benzoic acid compounds directly from 4-methylthiobenzyl alcohol as the starting material, using inexpensive, green, and safe air as the oxidant and inexpensive diethylene glycol dimethyl ether as the accelerator under solvent-free conditions. | | Application | Benzoic acid compounds, such as 4-methylthiobenzoic acid, are widely used in the chemical industry, including food, medicine, and dyes. They are also an important intermediate in organic synthesis. | | Chemical Properties | light yellow to beige crystalline powder | | Uses | Administration of 4-(methylthio)benzoic acid reduces cisplatin nephrotoxicity in rats. It prevents in vitro DNA binding and mutation induction in Escherichia coli K12. | | General Description | Administration of 4-(methylthio)benzoic acid reduces cisplatin nephrotoxicity in rats. It prevents in vitro DNA binding and mutation induction in Escherichia coli K12. |
| | 4-(Methylthio)benzoic acid Preparation Products And Raw materials |
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