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3-Methoxyphenylacetic acid

Alias: 3Methoxyphenylacetic acid; 3 Methoxyphenylacetic acid
Cat No.:V39106 Purity: ≥98%
3-Methoxyphenylacetic acid (m-Methoxyphenylacetic acid) is an analogue of m-hydroxyphenylacetic (m-OHPAA), a phytotoxin in Candida solani.
3-Methoxyphenylacetic acid
3-Methoxyphenylacetic acid Chemical Structure CAS No.: 1798-09-0
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5g
10g
Other Sizes
Official Supplier of:
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Product Description
3-Methoxyphenylacetic acid (m-Methoxyphenylacetic acid) is an analogue of m-hydroxyphenylacetic (m-OHPAA), a phytotoxin in Candida solani. 3-Methoxyphenylacetic acid may be utilized to develop toxin-mediated bioassays targeting aerobic mycorrhizal decay.
3-Methoxyphenylacetic acid (CAS 1798-09-0) is a research chemical featuring a methoxy group (-OCH3) attached to a phenyl ring at the meta position, along with an acetic acid moiety. It has a molecular formula of C9H10O3 and a molecular weight of 166.17. This compound is a white to off-white solid at room temperature and is soluble in organic solvents, with limited water solubility.
Biological Activity I Assay Protocols (From Reference)
Targets
3-Methoxyphenylacetic acid does not have a well-defined pharmacological target. It is used as a chemical intermediate and research compound rather than a therapeutic agent. Its biological activities, if any, are not extensively characterized in the available literature.
ln Vitro
Specific in vitro biological activities have not been extensively reported. The compound is primarily used as a building block in organic synthesis and as a research chemical. Its potential biological effects would depend on the specific context of its use.
ln Vivo
In vivo activity has not been reported. The compound is not a drug and is not intended for therapeutic use. It is used exclusively for research and chemical synthesis purposes.
Enzyme Assay
Receptor binding or enzyme inhibition assays are not standard for this compound. Characterization typically involves HPLC, GC, NMR, and mass spectrometry. Purity is assessed by GC (≥97.0%) and neutralization titration (≥98.0%).
Cell Assay
Cell-based assays are not typically performed for 3-Methoxyphenylacetic acid as it is not a pharmacologically active compound. Its use in cell culture would be limited to applications as a chemical intermediate or reference standard.
Animal Protocol
In vivo animal studies are not conducted for this compound as it is not a therapeutic agent. It is used exclusively in laboratory settings for chemical synthesis and analytical purposes.
ADME/Pharmacokinetics
3-Methoxyphenylacetic acid has a melting point of 65-73°C and a boiling point of approximately 306°C. It is slightly soluble in water and soluble in chloroform and ethyl acetate. Storage: below +30°C. Density: 1.1708 g/cm³.
Toxicity/Toxicokinetics
3-Methoxyphenylacetic acid is not classified as a hazardous compound under normal handling conditions. Standard laboratory safety precautions should be followed, including the use of appropriate personal protective equipment and proper ventilation.
References

[1]. Phytotoxins in Rhizoctonia solani: isolation and biological activity of m-hydroxy- and m-methoxyphenylacetic acids. J Agric Food Chem. 1980 Jan-Feb;28(1):71-5.

Additional Infomation
3-Methoxyphenylacetic acid is a monocarboxylic acid. It has been reported that 3-methoxyphenylacetic acid is present in Malabar spinach and Rhizoctonia solani, and relevant data are available for reference.
3-Methoxyphenylacetic acid is a research chemical used as a building block in organic synthesis. It is not a pharmaceutical drug and has no approved clinical indications. The compound is available from multiple chemical suppliers for research purposes.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C₉H₁₀O₃
Molecular Weight
166.17
Exact Mass
166.062
CAS #
1798-09-0
PubChem CID
15719
Appearance
White to off-white solid powder
Density
1.2±0.1 g/cm3
Boiling Point
305.5±17.0 °C at 760 mmHg
Melting Point
65-69 °C(lit.)
Flash Point
124.1±14.4 °C
Vapour Pressure
0.0±0.7 mmHg at 25°C
Index of Refraction
1.538
LogP
1.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Heavy Atom Count
12
Complexity
156
Defined Atom Stereocenter Count
0
InChi Key
LEGPZHPSIPPYIO-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
Chemical Name
2-(3-methoxyphenyl)acetic acid
Synonyms
3Methoxyphenylacetic acid; 3 Methoxyphenylacetic 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)
DMSO : ~100 mg/mL (~601.79 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.04 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 (15.04 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.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (15.04 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.0179 mL 30.0897 mL 60.1793 mL
5 mM 1.2036 mL 6.0179 mL 12.0359 mL
10 mM 0.6018 mL 3.0090 mL 6.0179 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:

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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

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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  • 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.

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  • 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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