4-Methylcatechol

Name: 4-Methylcatechol
Brand: MedChemExpress
SKU: HY-W012814
Rating: 4.5 (1 reviews)

Cat. No.: HY-W012814 Purity: 98.46%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase.

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4-Methylcatechol Chemical Structure

CAS No. : 452-86-8

Size	Price	Stock	Quantity

Free Sample (0.1 - 0.5 mg)		Apply Now
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 44	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 44	In-stock	Estimated Time of Arrival: December 31
Solid
100 mg	USD 40	In-stock	Estimated Time of Arrival: December 31
500 mg	USD 95	In-stock	Estimated Time of Arrival: December 31
1 g		Get quote
5 g		Get quote

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Based on 1 publication(s) in Google Scholar

Other Forms of 4-Methylcatechol:

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Biological Activity
Purity & Documentation
References
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Description

4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase.

IC₅₀ & Target ^[1]

Human Endogenous Metabolite

Catechol 2,3-Dioxygenase

Molecular Weight

124.14

Formula

C₇H₈O₂

CAS No.

452-86-8

Appearance

Solid

Color

Off-white to light brown

SMILES

OC1=CC=C(C)C=C1O

Structure Classification

Initial Source

Microorganisms

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (805.54 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	8.0554 mL	40.2771 mL	80.5542 mL
5 mM	1.6111 mL	8.0554 mL	16.1108 mL
10 mM	0.8055 mL	4.0277 mL	8.0554 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (20.14 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (20.14 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (20.14 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.52%

Select Batch:

Data Sheet (272 KB) SDS (393 KB)

COA (249 KB) HNMR (111 KB) RP-HPLC (192 KB)

Handling Instructions (2659 KB)

References

[1]. Okuta A, et al. Construction of chimeric catechol 2,3-dioxygenase exhibiting improved activity against the suicide inhibitor 4-methylcatechol. Appl Environ Microbiol. 2004 Mar;70(3):1804-10. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	8.0554 mL	40.2771 mL	80.5542 mL	201.3855 mL
	5 mM	1.6111 mL	8.0554 mL	16.1108 mL	40.2771 mL
	10 mM	0.8055 mL	4.0277 mL	8.0554 mL	20.1386 mL
	15 mM	0.5370 mL	2.6851 mL	5.3703 mL	13.4257 mL
	20 mM	0.4028 mL	2.0139 mL	4.0277 mL	10.0693 mL
	25 mM	0.3222 mL	1.6111 mL	3.2222 mL	8.0554 mL
	30 mM	0.2685 mL	1.3426 mL	2.6851 mL	6.7129 mL
	40 mM	0.2014 mL	1.0069 mL	2.0139 mL	5.0346 mL
	50 mM	0.1611 mL	0.8055 mL	1.6111 mL	4.0277 mL
	60 mM	0.1343 mL	0.6713 mL	1.3426 mL	3.3564 mL
	80 mM	0.1007 mL	0.5035 mL	1.0069 mL	2.5173 mL
	100 mM	0.0806 mL	0.4028 mL	0.8055 mL	2.0139 mL