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| Targets |
Methyl 3-hydroxybenzoate is used as a preservative in cosmetics to inhibit microbial growth. It can inhibit the growth of certain bacteria. The compound reacts with 5-nitrosalicylic acid to form an intermediate that reacts with the hydroxyl group of a methyl ester or carboxylic acid to form an amine. In biological studies, it is used to identify DNA and RNA sequences. The compound's mode of action as a preservative involves inhibition of microbial growth.
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| ln Vitro |
The chemical methyl 3-hydroxybenzoate is bioactive.
In vitro, methyl 3-hydroxybenzoate is used as a preservative to inhibit microbial growth. It can inhibit the growth of certain bacteria. The compound is used in biological studies to identify DNA and RNA sequences. It serves as a biochemical reagent in life science research. Cellular assays typically evaluate its antimicrobial activity. The compound's activity against bacteria makes it valuable for studying antimicrobial mechanisms and as a preservative. |
| ln Vivo |
In vivo data for methyl 3-hydroxybenzoate is limited, as it is primarily a research reagent and preservative. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. As a preservative in cosmetics, it is used topically at low concentrations. The compound's metabolism and systemic absorption are not well-characterized. Specific in vivo data is not available in the public literature.
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| Enzyme Assay |
In vitro antimicrobial assays for methyl 3-hydroxybenzoate typically evaluate its activity against various bacteria. A standard protocol involves culturing bacterial strains in appropriate growth medium. The compound is dissolved in an appropriate solvent and diluted to working concentrations (typically 0.1-10 mg/mL). Antimicrobial activity is assessed by measuring minimum inhibitory concentration (MIC) using broth microdilution or agar diffusion methods. The zone of inhibition or MIC values are recorded. The compound's activity is compared to standard preservatives.
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| Cell Assay |
Cellular assays for methyl 3-hydroxybenzoate typically evaluate its antimicrobial activity and cytotoxicity. A standard protocol involves culturing bacterial or mammalian cells in appropriate growth medium. Cells are treated with varying concentrations of the compound (typically 0.1-10 mg/mL). Bacterial growth is assessed by measuring optical density (OD₆₀₀) or by colony counting. Mammalian cell viability is assessed using MTT or similar assays. MIC and IC₅₀ values are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for methyl 3-hydroxybenzoate are not standard, as it is primarily a preservative and research reagent. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. Any animal studies would typically be toxicological evaluations or studies on its use as a preservative. The compound's primary value lies in its use as a preservative and research chemical.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for methyl 3-hydroxybenzoate is limited. The compound has a molecular weight of approximately 152.15 g/mol. It is stored as a solid at room temperature. As a benzoate ester, the compound may undergo hydrolysis to 3-hydroxybenzoic acid and methanol in biological systems. The compound's metabolism and excretion are not well-characterized. Specific ADME data is not available in the public literature.
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| Toxicity/Toxicokinetics |
Toxicological data for methyl 3-hydroxybenzoate is limited. As a preservative used in cosmetics, it is generally considered safe at low concentrations. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature.
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| Additional Infomation |
Methyl 3-hydroxybenzoate is a benzoic acid ester formed by the condensation of the carboxyl group of 3-hydroxybenzoic acid with methanol. It possesses antibacterial activity. It is a benzoic acid ester, belonging to the phenolic class of compounds, and is also a methyl ester. Its function is related to that of 3-hydroxybenzoic acid. It has been reported that methyl 3-hydroxybenzoate is present in sea lacquer (Excoecaria acerifolia), and relevant data are available for reference.
Methyl 3-hydroxybenzoate (CAS 19438-10-9) is a biochemical reagent used as a preservative in cosmetics. It can inhibit the growth of certain bacteria. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. Its applications are limited to research and as a preservative. |
| Molecular Formula |
C8H8O3
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|---|---|
| Molecular Weight |
152.15
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| Exact Mass |
152.047
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| CAS # |
19438-10-9
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| PubChem CID |
88068
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
283.3±13.0 °C at 760 mmHg
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| Melting Point |
70-72 °C(lit.)
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| Flash Point |
126.7±12.6 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.547
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| LogP |
1.89
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
144
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C(C1C([H])=C([H])C([H])=C(C=1[H])O[H])=O
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| InChi Key |
YKUCHDXIBAQWSF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,9H,1H3
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| Chemical Name |
methyl 3-hydroxybenzoate
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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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.5725 mL | 32.8623 mL | 65.7246 mL | |
| 5 mM | 1.3145 mL | 6.5725 mL | 13.1449 mL | |
| 10 mM | 0.6572 mL | 3.2862 mL | 6.5725 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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