| Identification | More | [Name]
4-(METHYLTHIO)BENZOIC ACID | [CAS]
13205-48-6 | [Synonyms]
4-(METHYLMERCAPTO)BENZOIC ACID
4-(METHYLTHIO)BENZOIC ACID
P-(METHYLTHIO)BENZOIC ACID
RARECHEM AL BO 1264
p-Methylmercapto Benzoic Acid
MTBA
p-Carboxyphenyl methyl sulfide
4-(METHYTHIO)-BENZOIC ACID
4-Methylthio benzoic acid ,98% | [EINECS(EC#)]
236-171-5 | [Molecular Formula]
C8H8O2S | [MDL Number]
MFCD00002555 | [Molecular Weight]
168.21 | [MOL File]
13205-48-6.mol |
| Questions And Answer | Back Directory | [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 | Back Directory | [Appearance]
light yellow to beige crystalline powder | [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 | [Detection Methods]
HPLC,NMR | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
29309090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [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. |
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| Company Name: |
J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
China Langchem Inc.
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0086-21-58956006 |
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www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm |
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Maya High Purity Chemicals
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+86 (573) 82222445 (0)18006601000 452520369 |
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