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> Denatonium (benzoate) [3734-33-6]

Denatonium (benzoate) [3734-33-6]

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Cat# HY-B1146-1ml

Size : 10mM/1mL

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Denatonium benzoate (THS-839) is the most bitter compound known, commonly used as an aversion agent (bitter agent) to prevent inappropriate ingestion, used in denatured alcohol, antifreeze, nail biting prevention, respirator mask fit testing , animal repellents, liquid soaps and shampoos.

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Denatonium benzoate Chemical Structure

Denatonium benzoate Chemical Structure

CAS No. : 3734-33-6

This product is a controlled substance and not for sale in your territory.

Based on 1 publication(s) in Google Scholar

Description

Denatonium benzoate (THS-839) is the most bitter compound known, commonly used as an aversion agent (bitter agent) to prevent inappropriate ingestion, used in denatured alcohol, antifreeze, nail biting prevention, respirator mask fit testing , animal repellents, liquid soaps and shampoos.

Essai clinique
Masse moléculaire

446.58

Formule

C28H34N2O3
CAS No.

3734-33-6
Appearance

Solid

Color

White to light yellow

SMILES

CC[N+](CC)(CC(NC1=C(C)C=CC=C1C)=O)CC2=CC=CC=C2.O=C([O-])C3=CC=CC=C3
Livraison

Room temperature in continental US; may vary elsewhere.
Stockage

4°C, sealed storage, away from moisture

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Solvant et solubilité
In Vitro: 

H2O : 20 mg/mL (44.78 mM; Need ultrasonic)

DMSO : 20 mg/mL (44.78 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 2.2392 mL 11.1962 mL 22.3924 mL
5 mM 0.4478 mL 2.2392 mL 4.4785 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 (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

  • Calculateur de molarité

  • Calculateur de dilution

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

Mass
=
Concentration
×
Volume
×
Molecular Weight *

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

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

×
Volume (start)

V1

=
Concentration (final)

C2

×
Volume (final)

V2

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 mg/mL (4.48 mM); Clear solution

    This protocol yields a clear solution of ≥ 2 mg/mL (saturation unknown).

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.0 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.

For the following dissolution methods, please prepare the working solution directly. It is recommended to prepare fresh solutions and use them promptly within a short period of time.
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:  PBS

    Solubility: 33.33 mg/mL (74.63 mM); Clear solution; Need ultrasonic

In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Calculation results:
Working solution concentration: mg/mL
This product has good water solubility, please refer to the measured solubility data in water/PBS/Saline for details.
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).
Pureté et documentation

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 (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
H2O / DMSO 1 mM 2.2392 mL 11.1962 mL 22.3924 mL 55.9810 mL
5 mM 0.4478 mL 2.2392 mL 4.4785 mL 11.1962 mL
10 mM 0.2239 mL 1.1196 mL 2.2392 mL 5.5981 mL
15 mM 0.1493 mL 0.7464 mL 1.4928 mL 3.7321 mL
20 mM 0.1120 mL 0.5598 mL 1.1196 mL 2.7991 mL
25 mM 0.0896 mL 0.4478 mL 0.8957 mL 2.2392 mL
30 mM 0.0746 mL 0.3732 mL 0.7464 mL 1.8660 mL
40 mM 0.0560 mL 0.2799 mL 0.5598 mL 1.3995 mL

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

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Denatonium benzoate Related Classifications

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Help & FAQs

Keywords:

Denatonium3734-33-6THS-839THS839THS 839OthersInhibitorinhibitorinhibit

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