| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
The primary targets of Cyclohexaneacetic acid are not well-defined, as it is primarily used as a flavoring agent and research chemical. As an endogenous metabolite, it may interact with various metabolic pathways. The compound may also serve as a substrate for enzymes involved in fatty acid metabolism. These characteristics make it relevant for research in metabolism, food science, and flavor chemistry.
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|---|---|
| ln Vitro |
In vitro, Cyclohexaneacetic acid is studied for its organoleptic properties as a flavoring agent. It is used in the development and validation of analytical methods for the quantification of flavor compounds in food products. The compound’s metabolic fate can be studied using liver microsomes or hepatocyte cultures. These in vitro activities support its use in food science, flavor chemistry, and metabolomics research.
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| ln Vivo |
In vivo, Cyclohexaneacetic acid is used as a flavoring agent in food products at approved concentrations. As an endogenous metabolite, it is naturally present in the body and may have physiological functions related to normal metabolism. However, its specific in vivo effects have not been extensively studied beyond its sensory properties and safety evaluation. The compound is not used as a therapeutic agent.
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| Enzyme Assay |
In vitro enzyme/receptor binding (cell-free) assays for Cyclohexaneacetic acid are not typically conducted, as it is not a conventional enzyme inhibitor or receptor ligand. However, its metabolism can be studied using liver microsomes or recombinant enzymes. The compound is incubated with enzyme preparations at concentrations ranging from 0.1-1000 μM, and metabolite formation is monitored by GC-MS or LC-MS. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for Cyclohexaneacetic acid are limited, as the compound is primarily used as a flavoring agent. Cytotoxicity studies may be performed to assess safety. Cells are treated with compound concentrations ranging from 0.1-1000 μM for 24-72 hours. Cell viability is assessed using MTT assays. All experiments include vehicle controls.
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| Animal Protocol |
In vivo animal studies with Cyclohexaneacetic acid are limited to safety and toxicology assessments for regulatory approval as a flavoring agent. The compound is administered via oral gavage at various doses. Toxicity and irritation potential are evaluated. Each group consists of 6-10 animals with appropriate controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Cyclohexaneacetic acid have not been extensively characterized. As a small, polar molecule, it is expected to have good oral bioavailability. Metabolism likely occurs through β-oxidation of the carboxymethyl group, followed by conjugation and renal excretion. Detailed PK parameters require further investigation.
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| Toxicity/Toxicokinetics |
Toxicological data for Cyclohexaneacetic acid indicate that it may cause eye irritation and chemical conjunctivitis. No significant systemic toxicity has been reported at typical exposure levels. As with all chemicals, appropriate safety precautions should be taken during handling, including use of personal protective equipment and adequate ventilation.
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| Additional Infomation |
Cyclohexylacetic acid is a monocarboxylic acid composed of a cyclohexane molecule linked to a carboxymethyl substituent. Functionally, it is related to acetic acid.
Cyclohexaneacetic acid is a monocarboxylic acid and endogenous metabolite used as a flavoring agent in the food industry. It is a white solid at room temperature and is used in food science, flavor chemistry, and metabolomics research. The compound is not approved as a therapeutic agent and is intended for research and commercial applications as a flavoring ingredient. |
| Molecular Formula |
C8H14O2
|
|---|---|
| Molecular Weight |
142.1956
|
| Exact Mass |
142.099
|
| CAS # |
5292-21-7
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| PubChem CID |
21363
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| Appearance |
Colorless to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
245.0±0.0 °C at 760 mmHg
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| Melting Point |
29-31 °C(lit.)
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| Flash Point |
123.9±9.8 °C
|
| Vapour Pressure |
0.0±1.0 mmHg at 25°C
|
| Index of Refraction |
1.468
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| LogP |
2.31
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
10
|
| Complexity |
114
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
LJOODBDWMQKMFB-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
|
| Chemical Name |
2-cyclohexylacetic acid
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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) |
DMSO : ~100 mg/mL (~703.23 mM)
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|---|---|
| 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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