| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
p-Toluic acid does not have a well-defined pharmacological target. It is used as a chemical intermediate in organic synthesis. As a carboxylic acid, it can participate in various chemical reactions and serves as a building block for more complex molecules.
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|---|---|
| ln Vitro |
In vitro, p-Toluic acid has been studied for its toxicity in Tetrahymena, with a pIGC50 value reported. It is not known to have significant pharmacological activity. Its primary applications are in chemical synthesis and as a research reagent.
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| ln Vivo |
In vivo, p-Toluic acid has been shown to cause adverse effects on fertility at doses of 300 mg/kg bw/day and above in animal studies. It is harmful if swallowed, inhaled, or absorbed through the skin.
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| Enzyme Assay |
Receptor binding or enzyme inhibition assays are not standard for p-Toluic acid. Characterization typically involves HPLC, GC, NMR, and mass spectrometry. Purity is assessed by standard analytical methods.
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| Cell Assay |
Toxicity studies in Tetrahymena are used to assess the compound's effects on cell growth. Cell-based assays may also evaluate its potential irritancy or cytotoxicity.
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| Animal Protocol |
In vivo toxicity studies are conducted in animal models. The compound has been shown to cause adverse effects on fertility at doses of 300 mg/kg bw/day and above. It is classified as harmful if swallowed.
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| ADME/Pharmacokinetics |
p-Toluic acid is a white needle-like crystalline solid with a melting point of 180-183°C and a boiling point of 274-275°C. It is easily soluble in ethanol, ether, and methanol, and slightly soluble in hot water.
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| Toxicity/Toxicokinetics |
p-Toluic acid is harmful if swallowed, inhaled, or absorbed through the skin. It may cause skin and eye irritation. The oral LD50 in rats is 3200 mg/kg. It is a skin sensitizer in human volunteers.
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| References | |
| Additional Infomation |
p-Toluic acid is a white powder that sublimes. (NTP, 1992)
p-Toluic acid is a methylbenzoic acid in which the methyl substituent is located at the 4-position. It is the conjugate acid of p-toluene esters. 4-Methylbenzoic acid has been reported to exist in African aloe vera, humans, and other organisms with relevant data. p-Toluic acid is an aromatic carboxylic acid used as a chemical intermediate and research reagent. It is also known as 4-methylbenzoic acid and 对甲苯甲酸. The compound is not a pharmaceutical drug and has no approved clinical indications. |
| Molecular Formula |
C8H8O2
|
|---|---|
| Molecular Weight |
136.1479
|
| Exact Mass |
136.052
|
| CAS # |
99-94-5
|
| Related CAS # |
p-Toluic acid-d4;1219798-71-6;p-Toluic acid-d7;1219798-76-1;p-Toluic acid-d3;19215-16-8
|
| PubChem CID |
7470
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| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
275.3±9.0 °C at 760 mmHg
|
| Melting Point |
179 °C
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| Flash Point |
124.7±13.4 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.556
|
| LogP |
2.36
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
10
|
| Complexity |
123
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
LPNBBFKOUUSUDB-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
|
| Chemical Name |
4-methylbenzoic acid
|
| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~734.48 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.36 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (18.36 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (18.36 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.3448 mL | 36.7242 mL | 73.4484 mL | |
| 5 mM | 1.4690 mL | 7.3448 mL | 14.6897 mL | |
| 10 mM | 0.7345 mL | 3.6724 mL | 7.3448 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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