| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
Human Endogenous Metabolite
Methyl cyclohexanecarboxylate does not have a specific biological target or receptor. As a chemical intermediate and flavoring agent, it is not designed to interact with specific pharmacological targets. Its primary role is in chemical synthesis and as a solvent or reagent. |
|---|---|
| ln Vitro |
In vitro, Methyl cyclohexanecarboxylate is not typically used for biological activity assays. It may be used as a solvent or a chemical reagent in organic synthesis. Its primary in vitro applications are in chemical synthesis and formulation development, where it is valued for its properties as a solvent and a chemical intermediate.
|
| ln Vivo |
In vivo, Methyl cyclohexanecarboxylate has no known therapeutic or biological effects. It is not used for therapeutic purposes. Its primary applications are in chemical synthesis and as a reference standard for analytical purposes. The compound is not intended for human consumption and is for research use only. Comprehensive in vivo pharmacological studies are not available.
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| Enzyme Assay |
For non-cell-based assays, Methyl cyclohexanecarboxylate is not used for receptor binding studies. It can be characterized using techniques such as gas chromatography (GC) and mass spectrometry. It serves as a standard in analytical chemistry for the identification and quantification of esters. Its physicochemical properties, including boiling point, density, and refractive index, are well-characterized.
|
| Cell Assay |
For in vitro cellular assays, Methyl cyclohexanecarboxylate is not typically used for cell-based functional assays. It may be used as a solvent for dissolving lipophilic compounds for cell-based assays. However, its use is limited due to its potential to affect cell viability at high concentrations. It is primarily used in formulation studies rather than as a tool to study cell biology.
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| Animal Protocol |
For in vivo animal studies, Methyl cyclohexanecarboxylate is not typically used for therapeutic or pharmacological studies. It may be used in metabolic studies where it is administered to animals and its metabolism and distribution are tracked using analytical methods. However, its primary use is as a chemical intermediate rather than a research tool for in vivo studies.
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| ADME/Pharmacokinetics |
Methyl cyclohexanecarboxylate has a molecular weight of 142.20 g/mol and a molecular formula of C8H14O2. It is a clear, colorless liquid. It is soluble in organic solvents and practically insoluble in water. The compound should be stored in a cool, dry place, away from light. It is commercially available with high purity for research use.
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| Toxicity/Toxicokinetics |
The toxicity profile of Methyl cyclohexanecarboxylate has not been extensively reported. As an ester, it may have low toxicity. The compound is not intended for human consumption and is for research use only. Standard safety precautions should be observed when handling the compound, including appropriate personal protective equipment and proper ventilation.
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| Additional Infomation |
Cyclohexane carboxylate methyl ester is a methyl ester formed by the condensation of the carboxyl group of cyclohexane carboxylate with methanol. It is both a human metabolic product and a flavoring agent. It is a methyl ester and a volatile organic compound. Its function is related to that of cyclohexane carboxylate.
Methyl cyclohexanecarboxylate (CAS 4630-82-4) is an organic compound used as a chemical intermediate in organic synthesis and as a flavoring agent. It is a methyl ester of cyclohexanecarboxylic acid. The compound is a clear, colorless liquid. It is available for research purposes only. |
| Molecular Formula |
C8H14O2
|
|---|---|
| Molecular Weight |
142.20
|
| Exact Mass |
142.099
|
| CAS # |
4630-82-4
|
| PubChem CID |
20748
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
183.0±0.0 °C at 760 mmHg
|
| Melting Point |
183ºC
|
| Flash Point |
60.0±0.0 °C
|
| Vapour Pressure |
0.8±0.3 mmHg at 25°C
|
| Index of Refraction |
1.449
|
| LogP |
2.24
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
10
|
| Complexity |
114
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC(=O)C1CCCCC1
|
| InChi Key |
ZQWPRMPSCMSAJU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
|
| Chemical Name |
methyl cyclohexanecarboxylate
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (703.23 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.58 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 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 (17.58 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 (17.58 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 | 7.0323 mL | 35.1617 mL | 70.3235 mL | |
| 5 mM | 1.4065 mL | 7.0323 mL | 14.0647 mL | |
| 10 mM | 0.7032 mL | 3.5162 mL | 7.0323 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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