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| Other Sizes |
| Targets |
3,5-Di-tert-butylphenol targets microbial cells, including bacteria and fungi. Its antimicrobial activity is attributed to its ability to induce the accumulation of reactive oxygen species (ROS), leading to oxidative stress and cell death in susceptible microorganisms. The compound's free radical scavenging activity also makes it relevant in studying oxidative stress and its effects.
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| ln Vitro |
3,5-Di-tert-butylphenol demonstrates in vitro antibiofilm and antifungal activities. It induces ROS accumulation in C. albicans cells and exhibits antibacterial activities. The compound's activity is concentration-dependent, with higher concentrations leading to increased ROS production and antimicrobial effects.
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| ln Vivo |
In vivo activity of 3,5-di-tert-butylphenol has not been extensively documented. Its in vitro antibiofilm, antifungal, and antibacterial activities suggest potential for in vivo applications in treating microbial infections and developing protective coatings. Further in vivo studies are needed to evaluate its efficacy and safety in animal models.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 3,5-di-tert-butylphenol are not typically performed, as the compound's antimicrobial mechanism involves ROS generation rather than specific enzyme inhibition. Its ability to induce ROS can be measured using fluorescent probes such as DCFH-DA in microbial cultures.
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| Cell Assay |
In vitro cellular assays for 3,5-di-tert-butylphenol involve culturing microbial cells (e.g., C. albicans, bacteria) in the presence of varying concentrations of the compound. Antimicrobial activity is assessed by measuring inhibition of growth using optical density measurements or colony counting. ROS production is measured using fluorescent probes.
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| Animal Protocol |
In vivo animal experiments for 3,5-di-tert-butylphenol are not extensively documented. If used in animal models of microbial infection, typical protocols would involve administering the compound to infected animals and evaluating efficacy by measuring microbial load in tissues or clinical outcomes. Further studies are needed to characterize its in vivo activity.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 3,5-di-tert-butylphenol are limited. The compound has a molecular weight of 206.32 and a molecular formula of C14H22O. It is a volatile organic compound with a relative density of 1.12 g/cm³. Its absorption, distribution, metabolism, and excretion properties have not been characterized.
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| Toxicity/Toxicokinetics |
Toxicological data for 3,5-di-tert-butylphenol are limited. As a volatile organic compound, it should be handled with appropriate safety precautions to avoid inhalation or skin contact. The compound is intended for research use only. Standard laboratory safety precautions should be followed when handling this compound.
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| References |
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| Additional Infomation |
3,5-Di-tert-butylphenol (CAS#: 1138-52-9) has the molecular formula C14H22O and a molecular weight of 206.32. It is a volatile organic compound with antibiofilm, antifungal, and antibacterial activities. The compound induces ROS accumulation in microbial cells. It is used in research on antimicrobial agents and oxidative stress.
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| Molecular Formula |
C14H22O
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|---|---|
| Molecular Weight |
206.32
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| Exact Mass |
206.167
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| CAS # |
1138-52-9
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| PubChem CID |
70825
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| Appearance |
Light yellow to light brown solid powder
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
276.7±9.0 °C at 760 mmHg
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| Melting Point |
87-89 °C(lit.)
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| Flash Point |
127.2±7.2 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.499
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| LogP |
4.86
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
15
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| Complexity |
184
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ZDWSNKPLZUXBPE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3
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| Chemical Name |
3,5-ditert-butylphenol
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : 100 mg/mL (484.68 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (12.12 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (12.12 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (12.12 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.8468 mL | 24.2342 mL | 48.4684 mL | |
| 5 mM | 0.9694 mL | 4.8468 mL | 9.6937 mL | |
| 10 mM | 0.4847 mL | 2.4234 mL | 4.8468 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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