2,4,6-Trimethylphenol

Cat. No.: HY-W038786 Purity: 99.98%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (³DOM^*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution.

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

2,4,6-Trimethylphenol Chemical Structure

CAS No. : 527-60-6

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 33	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 33	In-stock	Estimated Time of Arrival: December 31
Solid
100 mg	USD 30	In-stock	Estimated Time of Arrival: December 31
500 mg	USD 50	In-stock	Estimated Time of Arrival: December 31
1 g		Get quote
5 g		Get quote

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Other Forms of 2,4,6-Trimethylphenol:

2,4,6-Trimethylphenol-d₁₁ Get quote

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Biological Activity
Purity & Documentation
References
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Description

2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (³DOM^*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution^[1]^[2].

In Vitro

Peroxidatic substrates, catechol (CAT) and 2,4,6-trimethylphenol (TMP) were used as probes of thechloride dependent reactions catalyzed by chloroperoxidase (CPO). TMP is consumed only in the presence of chloride. TMP is a competitive inhibitor versus CAT, but CAT is a noncompetitive inhibitor versus TMP in chloride-dependent CPO-catalyzed peroxidation reactions. The ratio of TMP versus CAT consumed by the chloride-dependent CPO reaction in direct competition studies increases as the chloride concentration is increased from 1.0 to 400 mM^[3].

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

Molecular Weight

136.19

Formula

C₉H₁₂O

CAS No.

527-60-6

Appearance

Solid

Color

White to off-white

SMILES

OC1=C(C)C=C(C)C=C1C

Structure Classification

Initial Source

Endogenous metabolite

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, stored under nitrogen

*In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (734.27 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	7.3427 mL	36.7134 mL	73.4268 mL
5 mM	1.4685 mL	7.3427 mL	14.6854 mL
10 mM	0.7343 mL	3.6713 mL	7.3427 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 (stored under nitrogen). 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 (18.36 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 (18.36 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 (18.36 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).

*In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

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: 99.98%

Select Batch:

Data Sheet (273 KB) SDS (923 KB)

COA (248 KB) HNMR (127 KB) RP-HPLC (236 KB)

Handling Instructions (2659 KB)

References

[1]. Rosado-Lausell SL, et al. Roles of singlet oxygen and triplet excited state of dissolved organic matter formed by different organic matters in bacteriophage MS2 inactivation. Water Res. 2013;47(14):4869-4879. [Content Brief]

[2]. Paul G.Tratnyek, et al. Photo-oxidation of 2,4,6-trimethylphenol in aqueous laboratory solutions and natural waters: kinetics of reaction with singlet oxygen. Journal of Photochemistry and Photobiology A: Chemistry. Volume 84, Issue 2, 6 December 1994, Pages 153-160.

[3]. Libby RD, et al. Defining the involvement of HOCl or Cl2 as enzyme-generated intermediates in chloroperoxidase-catalyzed reactions. J Biol Chem. 1992;267(3):1769-1775. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	7.3427 mL	36.7134 mL	73.4268 mL	183.5671 mL
	5 mM	1.4685 mL	7.3427 mL	14.6854 mL	36.7134 mL
	10 mM	0.7343 mL	3.6713 mL	7.3427 mL	18.3567 mL
	15 mM	0.4895 mL	2.4476 mL	4.8951 mL	12.2378 mL
	20 mM	0.3671 mL	1.8357 mL	3.6713 mL	9.1784 mL
	25 mM	0.2937 mL	1.4685 mL	2.9371 mL	7.3427 mL
	30 mM	0.2448 mL	1.2238 mL	2.4476 mL	6.1189 mL
	40 mM	0.1836 mL	0.9178 mL	1.8357 mL	4.5892 mL
	50 mM	0.1469 mL	0.7343 mL	1.4685 mL	3.6713 mL
	60 mM	0.1224 mL	0.6119 mL	1.2238 mL	3.0595 mL
	80 mM	0.0918 mL	0.4589 mL	0.9178 mL	2.2946 mL
	100 mM	0.0734 mL	0.3671 mL	0.7343 mL	1.8357 mL