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5-Methylsalicylic acid (p-Cresotic acid)

2-Hydroxy-5-methylbenzoic acid is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for biomedical research.
5-Methylsalicylic acid (p-Cresotic acid)
5-Methylsalicylic acid (p-Cresotic acid) Chemical Structure CAS No.: 89-56-5
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
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100g
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Product Description
2-Hydroxy-5-methylbenzoic acid is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for biomedical research.
5-Methylsalicylic acid (p-Cresotic acid) (CAS 89-56-5) is a salicylic acid derivative with molecular formula C₈H₈O₃ and molecular weight 152.15 g/mol. It appears as a solid and is a biochemical reagent that can be used as a biological material or organic compound for life science related research. The compound exhibits diphenolase activity and can be used as an antioxidant. It is found naturally in plants such as Nepeta or Sephadex G-100.
Biological Activity I Assay Protocols (From Reference)
Targets
5-Methylsalicylic acid's broad spectrum of biological activities includes potential antitumor effects. While the specific mechanisms are not fully elucidated, the compound's ability to interact with free radicals and possibly modulate inflammatory pathways may contribute to its antitumor properties. The compound exhibits diphenolase activity and can be used as an antioxidant.
ln Vitro
In vitro, 5-methylsalicylic acid is used as a biochemical reagent and research tool. It exhibits diphenolase activity and can be used as an antioxidant. The compound has been used in analytical chemistry for the detection of p-hydroxybenzoic acid in urine samples. It shows significant cross-reactivity during fluorescent polarization immunoassay for salicylates in serum.
ln Vivo
In vivo data for 5-methylsalicylic acid as a therapeutic agent are limited. The compound's potential antitumor effects have been suggested, but specific in vivo efficacy and pharmacokinetic data are not well-documented. The compound is a salicylic acid derivative and may share some pharmacological properties with salicylates, but it is primarily used as a research reagent.
Enzyme Assay
For in vitro biochemical assays, 5-methylsalicylic acid is used as a reagent and standard. The compound can be used in antioxidant assays (e.g., DPPH, ABTS) to measure free radical scavenging activity. It is also used in analytical chemistry for the detection and quantification of salicylates and related compounds. The compound's diphenolase activity can be measured using standard enzyme assays with appropriate substrates.
Cell Assay
For in vitro cell-based experiments, 5-methylsalicylic acid can be evaluated for potential antitumor activity. Cells are seeded in 96-well plates and treated with the compound at various concentrations for 24-72 hours. Cell viability is assessed using MTT or resazurin-based assays. The compound's ability to modulate inflammatory pathways can be assessed by measuring cytokine production in activated immune cells.
Animal Protocol
In vivo animal studies for 5-methylsalicylic acid are limited. For potential antitumor or anti-inflammatory candidates derived from this scaffold, efficacy studies would typically be performed in mouse models of cancer or inflammation. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with appropriate endpoints. Specific protocols are not available.
ADME/Pharmacokinetics
Pharmacokinetic properties of 5-methylsalicylic acid are not extensively characterized. The compound has a molecular weight of 152.15 g/mol, which is favorable for oral bioavailability. As a salicylic acid derivative, it is likely to be absorbed and metabolized similarly to other salicylates, undergoing conjugation and renal excretion. Empirical pharmacokinetic data are not available.
Toxicity/Toxicokinetics
5-Methylsalicylic acid is a research chemical and should be handled with appropriate laboratory safety precautions. As a carboxylic acid, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment.
Additional Infomation
5-Methylsalicylic acid (p-Cresotic acid, CAS 89-56-5) is primarily a research-grade biochemical reagent, not an FDA-approved pharmaceutical drug. Its primary applications are as a biochemical reagent for life science research, as an antioxidant, and in analytical chemistry. The compound exhibits potential antitumor effects. No clinical trials or approved therapeutic indications exist for this compound.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C8H8O3
Molecular Weight
152.15
Exact Mass
152.047
CAS #
89-56-5
PubChem CID
6973
Appearance
White to off-white solid powder
Density
1.3±0.1 g/cm3
Boiling Point
299.8±28.0 °C at 760 mmHg
Melting Point
163-165 °C(lit.)
Flash Point
149.3±20.5 °C
Vapour Pressure
0.0±0.7 mmHg at 25°C
Index of Refraction
1.600
LogP
2.52
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Heavy Atom Count
11
Complexity
155
Defined Atom Stereocenter Count
0
SMILES
O=C(C1C(O)=CC=C(C)C=1)O
InChi Key
DLGBEGBHXSAQOC-UHFFFAOYSA-N
InChi Code
InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
Chemical Name
2-hydroxy-5-methylbenzoic acid
HS Tariff Code
2934.99.9001
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 Data
Solubility (In Vitro)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.5725 mL 32.8623 mL 65.7246 mL
5 mM 1.3145 mL 6.5725 mL 13.1449 mL
10 mM 0.6572 mL 3.2862 mL 6.5725 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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