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| Other Sizes |
| Targets |
(S)-(-)-Citronellal targets olfactory receptors as a monoterpenoid aroma compound. It is a flavonoid-like chemical compound with potential biological activities. As a monoterpenoid, it may interact with cellular membranes and modulate signaling pathways. The compound's biological activities are related to its presence in essential oils. Its specific molecular targets are not well-characterized.
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| ln Vitro |
In vitro, (S)-(-)-Citronellal is a monoterpenoid compound found in essential oils. It is responsible for the aroma of kaffir lime oil. The compound is a flavonoid-like chemical. Its chemical properties, including purity (≥96%) and specific rotation (-13.0 to -18.0 degrees), have been characterized. Further in vitro studies are needed to fully characterize its biological activity.
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| ln Vivo |
In vivo, (S)-(-)-Citronellal is a monoterpenoid found in essential oils. It is responsible for the aroma of kaffir lime oil. The compound is used in flavor and fragrance research. Its potential biological activities are related to its essential oil properties. Further in vivo studies are needed to fully characterize its pharmacokinetic and pharmacodynamic properties.
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| Enzyme Assay |
In vitro enzyme assays for (S)-(-)-Citronellal are limited as the compound is primarily a flavor and fragrance compound. For biological activity studies, antioxidant assays such as DPPH or ABTS may be performed. Antimicrobial susceptibility assays may be conducted against bacteria and fungi. Enzyme inhibition assays may be performed to assess potential interactions with metabolic enzymes. Assays are performed in appropriate buffer systems with positive controls.
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| Cell Assay |
In vitro cell-based assays for (S)-(-)-Citronellal are conducted in various cell types for cytotoxicity and biological activity studies. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. Cell viability is assessed by standard assays. Antimicrobial activity is assessed in bacterial and fungal cultures. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
(S)-(-)-Citronellal in vivo studies are conducted in animal models for toxicological and pharmacological evaluation. Animals are administered the compound via oral administration or injection. For flavor and fragrance studies, sensory evaluation may be performed. For antimicrobial studies, animal models of infection may be used. Animals are monitored for clinical signs. Tissues and blood samples are collected for histopathological and biochemical analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
(S)-(-)-Citronellal (MW 154.25 g/mol, C10H18O) is a monoterpenoid compound. It appears as a colorless to almost colorless clear liquid with a specific rotation of -13.0 to -18.0 degrees and a purity of ≥96%. The compound is soluble in organic solvents. It is stable under recommended storage conditions. (S)-(-)-Citronellal is found in essential oils and is used in flavor and fragrance research.
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| Toxicity/Toxicokinetics |
(S)-(-)-Citronellal is generally recognized as safe as a flavor and fragrance compound. The compound is a monoterpenoid found in essential oils. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
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| References | |
| Additional Infomation |
(S)-(-)-Citronellol is the (3S)-stereoisomer of 3,7-dimethyloctyl-6-enal (citronellol) and its enantiomer (R)-(+)-citronellol. It has been reported that (S)-(-)-citronellol is found in sage (Salvia officinalis), citrus (Citrus reticulata), and other organisms with relevant data. See also: Citronellol (note moved here).
(S)-(-)-Citronellal ((-)-Citronellal) is a monoterpenoid compound found in Corymbia citriodora and Cymbopogon nardus essential oils. It is responsible for the aroma of kaffir lime oil. The compound is the (3S)-stereoisomer of 3,7-dimethyloctyl-6-enal. It appears as a colorless liquid with a specific rotation of -13.0 to -18.0 degrees. Its molecular formula is C10H18O with a molecular weight of 154.25 g/mol. All applications are limited to non-human research use. |
| Molecular Formula |
C10H18O
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|---|---|
| Molecular Weight |
154.24932
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| Exact Mass |
154.135
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| CAS # |
5949-05-3
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| Related CAS # |
(R)-(+)-Citronellal;2385-77-5
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| PubChem CID |
443157
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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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| 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-JTQLQIEISA-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-/m0/s1
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| Chemical Name |
(3S)-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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