| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
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| Other Sizes |
| Targets |
No specific molecular target. It is a metabolite and chemical building block.
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|---|---|
| ln Vitro |
Cyclohexanecarboxylic acid is primarily used as a chemical intermediate, not a biologically active compound with a defined in vitro activity. Its role in research is often as a standard or a reactant to determine complex binding constants with cyclodextrins.
|
| ln Vivo |
As a naturally occurring compound in living organisms, it is expected to be metabolized. However, specific pharmacological in vivo activity is not documented; its primary use is as a research chemical and synthetic intermediate.
|
| Enzyme Assay |
In vitro experiments typically use cyclohexanecarboxylic acid as a reagent or standard. For instance, it can be used to determine the complex binding constants of cyclodextrins. Its physical properties, such as melting point (28-30°C) and solubility in organic solvents, are well-characterized.
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| Cell Assay |
Specific in vitro cellular assays for this compound are not standard, as it is not a drug candidate. It may be used in studies of cellular metabolism or as a negative control.
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| Animal Protocol |
In vivo animal experiments are not typical for this compound as a research tool. As a naturally occurring metabolite, its levels could be monitored in metabolic studies, but it is not administered as a drug.
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| ADME/Pharmacokinetics |
As a small, lipophilic carboxylic acid (logP ~2.6), it is expected to be well-absorbed and distributed. It is metabolized via normal fatty acid oxidation pathways. It is not a drug.
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| Toxicity/Toxicokinetics |
Cyclohexanecarboxylic acid is generally recognized as safe and is used as a flavoring agent. However, as with all research chemicals, standard laboratory safety precautions should be observed. It is not intended for human therapeutic use.
|
| References | |
| Additional Infomation |
Cyclohexane carboxylic acid is a monocarboxylic acid formed by replacing a carboxyl group in a cyclohexane molecule. It is the conjugate acid of cyclohexane carboxylate. Cyclohexane carboxylic acid has been reported to exist in Alicyclobacillus acidocaldarius and Streptomyces collinus, and relevant data are available. See also: Cyclohexane carboxylate (note moved here).
Cyclohexanecarboxylic acid is a versatile building block in organic synthesis and a research chemical. It is not a drug. |
| Molecular Formula |
C7H12O2
|
|---|---|
| Molecular Weight |
128.16898
|
| Exact Mass |
128.083
|
| CAS # |
98-89-5
|
| Related CAS # |
Cyclohexanecarboxylic acid-d1;933-37-9;Cyclohexanecarboxylic acid-d11;93131-16-9
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| PubChem CID |
7413
|
| Appearance |
White to off-white <29°C powder,>31°C liquid
|
| Density |
1.1±0.1 g/cm3
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| Boiling Point |
233.0±8.0 °C at 760 mmHg
|
| Melting Point |
29-31 °C(lit.)
|
| Flash Point |
107.0±13.1 °C
|
| Vapour Pressure |
0.0±1.0 mmHg at 25°C
|
| Index of Refraction |
1.481
|
| LogP |
1.77
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
9
|
| Complexity |
104
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C1CCCCC1)O
|
| InChi Key |
NZNMSOFKMUBTKW-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
|
| Chemical Name |
cyclohexanecarboxylic acid
|
| 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) |
H2O : ~100 mg/mL (~780.21 mM)
DMSO : ~100 mg/mL (~780.21 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.51 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 (19.51 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 (19.51 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 | 7.8021 mL | 39.0107 mL | 78.0214 mL | |
| 5 mM | 1.5604 mL | 7.8021 mL | 15.6043 mL | |
| 10 mM | 0.7802 mL | 3.9011 mL | 7.8021 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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