| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
Sulcatone does not have a well-defined pharmacological target, as it is primarily a natural product and metabolite. It may interact with various olfactory receptors as a volatile compound, but its specific binding targets have not been fully characterized. The compound's unsaturated ketone structure makes it reactive and capable of undergoing various chemical reactions. It is not used as a therapeutic agent.
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|---|---|
| ln Vitro |
Sulcatone does not possess significant pharmacological activity as a pure compound in typical in vitro assays, as it is primarily a natural product and flavoring agent. Studies may involve evaluating its presence as a volatile component in essential oils or its role as a pheromone. The compound is not studied for specific biological activities. Its main applications are in the flavor and fragrance industry.
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| ln Vivo |
In vivo activity of Sulcatone is related to its role as a natural product and pheromone. It is a volatile component of various essential oils and may have biological effects in plants and insects. However, the compound is not used therapeutically, and comprehensive in vivo studies evaluating its pharmacokinetic properties, efficacy, and safety are limited. Its toxicity profile is primarily related to its use as a flavoring agent.
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| Enzyme Assay |
In vitro receptor binding experiments for Sulcatone are not typical, as it is a natural product rather than a pharmacologically active compound. Studies may involve measuring its volatile properties or its presence in essential oils. Its chemical properties are characterized using standard analytical methods such as GC and GC-MS. The compound is also used as a reference standard in analytical chemistry.
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| Cell Assay |
In vitro cellular experiments for Sulcatone are not typical, as it is a natural product rather than a pharmacologically active compound. The compound may be used in studies to evaluate its cytotoxicity or its effects on cell lines. However, comprehensive in vitro cellular studies are limited. The compound's unsaturated ketone group can react with cellular nucleophiles, which may contribute to its biological effects.
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| Animal Protocol |
In vivo animal experiments for Sulcatone are not typical, as it is a natural product rather than a drug candidate. Studies may involve administering the compound to animals to study its metabolism or its effects as a pheromone. However, comprehensive in vivo studies evaluating its pharmacokinetic properties are limited.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Sulcatone have not been extensively characterized. With a molecular weight of 126.20, the compound is expected to be readily absorbed and distributed. It is volatile and can be absorbed through inhalation and skin contact. The compound is soluble in DMSO (100 mg/mL). Detailed pharmacokinetic studies are limited.
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| Toxicity/Toxicokinetics |
Toxicity Data
LC50 (Rat) > 13,960 mg/m³/4 hours Toxicological data for Sulcatone indicate that it may be an irritant. It is a primary irritant and may cause skin and eye irritation. The compound should be handled with care, and standard safety protocols for handling ketones should be followed, including the use of personal protective equipment and working in a well-ventilated area. The toxicological properties of this substance have not been fully investigated. |
| Additional Infomation |
Sulcarone is a heptenone with the structure hepten-5-en-2-one, where the 6-position is substituted with a methyl group. It is a volatile component of citronella oil, lemongrass oil, and palmarosa oil. It has multiple functions, including acting as a warning pheromone, a volatile component, and a plant metabolite. It is a methyl ketone and a heptenone.
6-Methyl-5-hepten-2-one has been reported in Saccharomyces turcica, tea trees, and other organisms with relevant data. Sulcarone is a metabolite found or produced in Saccharomyces cerevisiae. Sulcatone is a research compound that has not entered clinical trials or received regulatory approval for therapeutic use. It is primarily used as a flavoring agent and as a volatile component in essential oils. The compound is also an endogenous metabolite and acts as a warning pheromone. It is also known as 6-Methyl-5-hepten-2-one or methyl heptenone. Its applications are primarily in the flavor and fragrance industry. |
| Molecular Formula |
C8H14O
|
|---|---|
| Molecular Weight |
126.1962
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| Exact Mass |
126.104
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| CAS # |
110-93-0
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| PubChem CID |
9862
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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 |
173.3±9.0 °C at 760 mmHg
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| Melting Point |
-67.1 °C
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| Flash Point |
50.6±0.0 °C
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| Vapour Pressure |
1.3±0.3 mmHg at 25°C
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| Index of Refraction |
1.430
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| LogP |
2.09
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
3
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| Heavy Atom Count |
9
|
| Complexity |
119
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C([H])([H])[H])C([H])([H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H]
|
| InChi Key |
UHEPJGULSIKKTP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
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| Chemical Name |
6-methylhept-5-en-2-one
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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 (~792.39 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.81 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 (19.81 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 (19.81 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 | 7.9239 mL | 39.6197 mL | 79.2393 mL | |
| 5 mM | 1.5848 mL | 7.9239 mL | 15.8479 mL | |
| 10 mM | 0.7924 mL | 3.9620 mL | 7.9239 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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