99-94-5
99-94-5
Chemical Structure
p-Toluic acid
Synonym(s): 4-Methylbenzoic acid
- CAS No.: 99-94-5
- Formula:C8H8O2
- Molecular Weight:136.15
IUPAC Name: 4-methylbenzoic acid
InChIKey: LPNBBFKOUUSUDB-UHFFFAOYSA-N
SMILES: O=C(O)C(C=C1)=CC=C1C
Biological Activity: p-Toluic acid (4-Methylbenzoic acid), coumarin, is a substituted benzoic acid. p-Toluic acidis synthetic p-aminomethylbenzoic acid (PAMBA), intermediates such as p-toluonitrile. p-Toluic acidMay have potential reproductive toxicity, press 1g/kgRepeated administration of doses can produce a variety of adverse effects on the epididymis[1][2].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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p-Toluic acid | 99.93% | p-Toluic acid (4-Methylbenzoic acid), coumarin, is a substituted benzoic acid. p-Toluic acidis synthetic p-aminomethylbenzoic acid (PAMBA), intermediates such as p-toluonitrile. p-Toluic acidMay have potential reproductive toxicity, press 1g/kgRepeated administration of doses can produce a variety of adverse effects on the epididymis. | ||||||||||||||||||||
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p-Toluic acid (Standard) | ≥98% | p-Toluic acid (Standard) is the analytical standard of p-Toluic acid. This product is intended for research and analytical applications. p-Toluic acid (4-Methylbenzoic acid), coumarin, is a substituted benzoic acid. p-Toluic acidis synthetic p-aminomethylbenzoic acid (PAMBA), intermediates such as p-toluonitrile. p-Toluic acidMay have potential reproductive toxicity, press 1g/kgRepeated administration of doses can produce a variety of adverse effects on the epididymis. | ||||||||||||||||||||
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p-Toluic acid-d4 | p-Toluic acid-d4 is the deuterium labeled p-Toluic acid. p-Toluic acid (4-Methylbenzoic acid) is a substituted benzoic acid and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc. | |||||||||||||||||||||
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p-Toluic acid-d3 | 99% | p-Toluic acid-d3 is the deuterium labeled p-Toluic acid. p-Toluic acid (4-Methylbenzoic acid) is a substituted benzoic acid and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc. | ||||||||||||||||||||
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p-Toluic acid-d7 | 99.72% | p-Toluic acid-d7 is the deuterium labeled p-Toluic acid. p-Toluic acid (4-Methylbenzoic acid) is a substituted benzoic acid and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc. | ||||||||||||||||||||
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Structural Analogs
-
Similarity Score 0.92
HY-785713-Methylbenzoic acid -
Similarity Score 0.87
HY-787004-Bromobenzoic acid -
Similarity Score 0.87
HY-W0133964-Iodobenzoic acid -
Similarity Score 0.87
HY-414654-Chlorobenzoic acid -
Similarity Score 0.87
HY-B10084-Aminobenzoic acid -
Similarity Score 0.87
HY-W0136774-Fluorobenzoic acid -
Similarity Score 0.87
HY-Y0264R4-Hydroxybenzoic acid (Standard) -
Similarity Score 0.87
HY-Y0264S4-Hydroxybenzoic acid-13C6 -
Similarity Score 0.87
HY-Y0264S24-Hydroxybenzoic acid-13C -
Explore the MedChemAI to find more analogs
References
- [1]. Pfennig T, et al. The formation of p-toluic acid from coumalic acid: a reaction network analysis[J]. Green Chemistry, 2017, 19(14): 3263-3271.
- [2]. Shirota M, et al. Screening of toxicological properties of 4-methylbenzoic acid by oral administration to rats. J Toxicol Sci. 2008 Oct;33(4):431-45. [Content Brief]
