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Thymol [89-83-8]

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Referentie NB-64-27349-2g

Formaat : 2g

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Thymol

(Synonyms: Thymic Acid, Thyme Camphor, Pseudoaspidin, 2-isopropyl-5-methylphenol) Copy Product Info

Synonyms: Thymic Acid, Thyme Camphor, Pseudoaspidin, 2-isopropyl-5-methylphenol

Catalog No. T3S0717 Copy Product Info

Purity: 99.88%

Thymol, also known as Pseudoaspidin, is a principal monoterpene phenol found in the essential oils of plants from the Lamiaceae family, along with several other families including Verbenaceae, Scrophulariaceae, Ranunculaceae, and Apiaceae. This compound exhibits antioxidant, anti-inflammatory, antibacterial, and antifungal properties.

Cas No. 89-83-8

For research use only—not for human use. No sales to individuals. Use as intended only.

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Purity:99.88%

Appearance:Solid

Color:White

Product Introduction

Thymol AI Summary

Thymol exhibits diverse bioactivities and physicochemical properties. It has a log P value of 3.3 and a log D value of 3.3, indicating moderate lipophilicity. The compound has various antimicrobial activities, including inhibition of Bacillus subtilis spore germination (IC50 of 494,000 nM), and antibacterial effects against oral and methicillin-resistant strains of Staphylococcus aureus, as well as Propionibacterium acnes with an MIC of 200 μg/mL. It also shows antifungal activity against Candida albicans and Colletotrichum species, and is effective against root-knot nematode larvae (EC50 of 160 μg/mL at 96 hours). Thymol interacts with biological membranes as indicated by permeability studies across human skin and PAMPA membranes, with log Kp of -4.83 and log Pe of -4.34, respectively. It demonstrates inhibition of COX2 enzyme at 100 μM, suggesting potential anti-inflammatory properties, and activates human TRPA1 channels (EC50 of 6,000 nM) as well as rat TRPV3 and TRPM8 channels. It also shows significant acaricidal activity against Psoroptes cuniculi and Dermatophagoides species, and nematicidal activity against Meloidogyne incognita larvae. In terms of toxicity, Thymol has an LD50 of 100 mg/kg in mice and shows gastrointestinal and neurotoxicity in Wistar rats. The compound exhibits antioxidant activity in various assays, including DPPH radical scavenging. It also inhibits SARS-CoV-2 induced cytotoxicity in cell models, and demonstrates moderate antiviral activity with an IC50 greater than 20,000 nM. Thymol shows moderate binding affinity towards multiple human receptors and enzymes, exhibiting antagonist activity at human OR5K1 and HDAC6 inhibitors, with other significant activities including potential uses in antimicrobial, antifungal, antifeedant, antioxidant, antihelminthic, and antiviral applications..

Note: Summary generated by AI. Data source: ChEMBL

Bioactivity

Description	Thymol, also known as Pseudoaspidin, is a principal monoterpene phenol found in the essential oils of plants from the Lamiaceae family, along with several other families including Verbenaceae, Scrophulariaceae, Ranunculaceae, and Apiaceae. This compound exhibits antioxidant, anti-inflammatory, antibacterial, and antifungal properties.
Synonyms	Thymic Acid, Thyme Camphor, Pseudoaspidin, 2-isopropyl-5-methylphenol

Chemical Properties

Molecular Weight	150.22
Formula	C₁₀H₁₄O
Cas No.	89-83-8
Smiles	CC(C)C1=C(O)C=C(C)C=C1
Relative Density.	0.98 g/cm3. Temperature:20 °C.

Storage & Solubility Information

Storage

Powder: -20°C for 3 years | In solvent: -80°C for 1 year Shipping with blue ice/Shipping at ambient temperature.

Solubility Information

DMSO: 250 mg/mL (1664.23 mM), Sonication is recommended.

In Vivo Formulation

10% DMSO+40% PEG300+5% Tween 80+45% Saline: 2 mg/mL (13.31 mM), Sonication is recommended.

Please add the solvents sequentially, clarifying the solution as much as possible before adding the next one. Dissolve by heating and/or sonication if necessary. Working solution is recommended to be prepared and used immediately. The formulation provided above is for reference purposes only. In vivo formulations may vary and should be modified based on specific experimental conditions.

Solution Preparation Table

DMSO

	1mg	5mg	10mg	50mg
1 mM	6.6569 mL	33.2845 mL	66.5690 mL	332.8452 mL
5 mM	1.3314 mL	6.6569 mL	13.3138 mL	66.5690 mL
10 mM	0.6657 mL	3.3285 mL	6.6569 mL	33.2845 mL
20 mM	0.3328 mL	1.6642 mL	3.3285 mL	16.6423 mL
50 mM	0.1331 mL	0.6657 mL	1.3314 mL	6.6569 mL
100 mM	0.0666 mL	0.3328 mL	0.6657 mL	3.3285 mL

Note : The dilution table applies only to solid products. For liquid products, please calculate the stock solution based on the stated concentration and/or density.

Calculator

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:

For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, and a total of 10 animals are to be administered, using a formulation of 10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH₂O , the resulting working solution concentration would be 2 mg/mL.

Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSO to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSO stock solution to 400 µL PEG300 and mix thoroughly until the solution becomes clear.

2) Add 50 µL Tween 80 and mix well until fully clarified.

3) Add 450 µL Saline,PBS or ddH₂O and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.

All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.

Dose Conversion

Keywords

ThymolInhibitorinhibitBacterialAntibacterial

Related Tags: Thymol chemical structure | Thymol formula | Thymol molecular weight