| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
(R)-(+)-Citronellal targets bitter taste receptors TAS2R43 (IC50 = 84 µM) and TAS2R46, reducing the bitterness of caffeine. It generates analgesic activity by activating the opioid receptor pathway. It also has antifungal activity.
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|---|---|
| ln Vitro |
In cell-free systems, the activity of (R)-(+)-Citronellal is assessed by its ability to inhibit bitter taste receptors. This can be measured in receptor binding or functional assays. Its antifungal activity can be assessed using standard antimicrobial susceptibility tests. In vitro, (R)-(+)-Citronellal exhibits antifungal activity, as well as antibacterial and insecticidal activities. It is used as a flavoring agent and in skincare products.
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| ln Vivo |
In vivo, (R)-(+)-Citronellal generates analgesic activity by activating the opioid receptor pathway, with a particularly significant effect on inflammatory pain. This suggests potential as an analgesic agent. Its insecticidal properties are also relevant in vivo.
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| Enzyme Assay |
The inhibition of bitter taste receptors is measured using cell-based functional assays, such as calcium imaging, in cells expressing TAS2R43 or TAS2R46. The compound's ability to block receptor activation by bitter agonists is quantified.
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| Cell Assay |
Cells expressing bitter taste receptors are treated with (R)-(+)-Citronellal. The inhibition of receptor activity is measured by assessing the reduction in intracellular calcium mobilization in response to a bitter agonist. Its antifungal activity is tested against fungal strains.
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| Animal Protocol |
In vivo analgesic activity is assessed in animal models of pain, such as the formalin test or carrageenan-induced hyperalgesia. The compound is administered, and its ability to reduce pain behaviors is measured. Its insecticidal activity is tested on insects.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (R)-(+)-Citronellal are not well-documented for therapeutic use. As a volatile monoterpenoid, it is rapidly absorbed and metabolized. Its use is primarily in flavorings and fragrances, not as a systemic drug.
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| Toxicity/Toxicokinetics |
(R)-(+)-Citronellal is generally recognized as safe for use as a flavoring and fragrance ingredient. Its toxicity is low. It may cause skin irritation in some individuals. Its safety as a therapeutic agent requires further investigation.
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| References | |
| Additional Infomation |
(R)-(+)-Citronellol is the (3R)-stereoisomer of 3,7-dimethyloctyl-6-enal (citronellol) and its enantiomer (S)-(-)-citronellol. It has been reported that (R)-(+)-citronellol exists in lemon verbena (Aloysia citrodora), Wilson's orange (Citrus wilsonii), and other organisms with relevant data.
(R)-(+)-Citronellal is a natural compound with a variety of biological activities. It is used in the flavor and fragrance industry and has potential therapeutic applications as an analgesic and antimicrobial agent. It is not an approved drug. |
| Molecular Formula |
C10H18O
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|---|---|
| Molecular Weight |
154.24932
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| Exact Mass |
154.135
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| CAS # |
2385-77-5
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| Related CAS # |
(S)-(-)-Citronellal;5949-05-3
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| PubChem CID |
75427
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.8±0.1 g/cm3
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| Boiling Point |
208.4±9.0 °C at 760 mmHg
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| Melting Point |
25°C
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| Flash Point |
75.6±0.0 °C
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| Vapour Pressure |
0.2±0.4 mmHg at 25°C
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| Index of Refraction |
1.437
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| LogP |
3.48
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
11
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| Complexity |
132
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(=CCC[C@@H](C)CC=O)C
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| InChi Key |
NEHNMFOYXAPHSD-SNVBAGLBSA-N
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| InChi Code |
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
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| Chemical Name |
(3R)-3,7-dimethyloct-6-enal
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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 (~648.30 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.21 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 (16.21 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 (16.21 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 | 6.4830 mL | 32.4149 mL | 64.8298 mL | |
| 5 mM | 1.2966 mL | 6.4830 mL | 12.9660 mL | |
| 10 mM | 0.6483 mL | 3.2415 mL | 6.4830 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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