3,4-Dimethylbenzoic acid

Name: 3,4-Dimethylbenzoic acid
Brand: MedChemExpress
SKU: HY-W017434
Rating: 4.5 (1 reviews)

Cat. No.: HY-W017434 Purity: 98.32%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

3,4-Dimethylbenzoic acid acts as a product of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75.

For research use only. We do not sell to patients.

3,4-Dimethylbenzoic acid Chemical Structure

CAS No. : 619-04-5

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Customer Review

Based on 1 publication(s) in Google Scholar

1 Publications Citing Use of MCE 3,4-Dimethylbenzoic acid

•Laurea Magistrale in Biomedical Engineering, Politecnico di Milano. 2019 Jun.

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Biological Activity
Purity & Documentation
References
Customer Review

Description

3,4-Dimethylbenzoic acid acts as a product of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75^[1].

In Vitro

3,4-Dimethylbenzoic acid is oxidised by 4-methylbenzoate (p-toluate)-grown cells of Rhodococcus rhodochrous N75 via the ortho-pathway through the intermediates 3,4-dimethylcatechol^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

150.18

Formula

C₉H₁₀O₂

CAS No.

619-04-5

Appearance

Solid

Color

White to yellow

SMILES

O=C(O)C1=CC=C(C)C(C)=C1

Structure Classification

Ketones, Aldehydes, Acids

Initial Source

Microorganisms

Endogenous metabolite

Rhodococcus rhodochrous

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 (665.87 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	6.6587 mL	33.2934 mL	66.5868 mL
5 mM	1.3317 mL	6.6587 mL	13.3174 mL
10 mM	0.6659 mL	3.3293 mL	6.6587 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

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 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (16.65 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 2

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (16.65 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: 98.32%

Select Batch:

Data Sheet (272 KB) SDS (393 KB)

COA (248 KB) HNMR (128 KB) RP-HPLC (228 KB)

Handling Instructions (2659 KB)

References

[1]. StefanSchmidt, et al. Isolation and identification of two novel butenolides as products of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75.

Complete Stock Solution Preparation Table

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

DMSO	1 mM	6.6587 mL	33.2934 mL	66.5868 mL	166.4669 mL
	5 mM	1.3317 mL	6.6587 mL	13.3174 mL	33.2934 mL
	10 mM	0.6659 mL	3.3293 mL	6.6587 mL	16.6467 mL
	15 mM	0.4439 mL	2.2196 mL	4.4391 mL	11.0978 mL
	20 mM	0.3329 mL	1.6647 mL	3.3293 mL	8.3233 mL
	25 mM	0.2663 mL	1.3317 mL	2.6635 mL	6.6587 mL
	30 mM	0.2220 mL	1.1098 mL	2.2196 mL	5.5489 mL
	40 mM	0.1665 mL	0.8323 mL	1.6647 mL	4.1617 mL
	50 mM	0.1332 mL	0.6659 mL	1.3317 mL	3.3293 mL
	60 mM	0.1110 mL	0.5549 mL	1.1098 mL	2.7744 mL
	80 mM	0.0832 mL	0.4162 mL	0.8323 mL	2.0808 mL
	100 mM	0.0666 mL	0.3329 mL	0.6659 mL	1.6647 mL