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| Other Sizes |
| Targets |
Methyl dihydrojasmonate does not have a specific pharmacological target. It is a fragrance compound that interacts with olfactory receptors in the nose to produce scent perception. Its mechanism of action in aromatherapy is believed to involve the olfactory system and the limbic system, which are associated with emotion and memory. The compound's calming properties are thought to result from its interaction with the olfactory system, leading to modulation of neurotransmitter release and reduction of stress responses.
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| ln Vitro |
Methyl dihydrojasmonate is present in non-cosmetic items such detergents and household cleaners, high-end perfumes, and scents used in toiletries like shampoos and soaps [1].
In vitro, Methyl dihydrojasmonate is not typically evaluated for biological activity in the same way as a drug. Its primary activity is its fragrance and its interaction with olfactory receptors. The compound has been studied for its potential effects on cell viability and gene expression in some research contexts. It is also used as a standard in analytical chemistry for the identification and quantification of fragrance compounds in various matrices. |
| ln Vivo |
In vivo, Methyl dihydrojasmonate is used in aromatherapy for its calming properties. It helps to reduce stress and promote relaxation in therapeutic settings. The compound is also used in perfumery to provide a pleasant floral scent. Its effects are primarily related to its fragrance and its interaction with the olfactory system.
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| Enzyme Assay |
There are no standard cell-free receptor binding assays for Methyl dihydrojasmonate, as it is not a pharmaceutical compound. Its interaction with olfactory receptors can be studied using olfactory receptor-expressing cell lines or by electrophysiological recording from olfactory sensory neurons. In these assays, the compound is applied to the receptor-expressing cells, and the activation of the receptor is measured by changes in intracellular calcium or by electrophysiological recording.
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| Cell Assay |
For cellular assays, olfactory receptor-expressing cell lines (e.g., HEK293 cells transfected with olfactory receptors) are used. Cells are cultured in appropriate media and treated with various concentrations of Methyl dihydrojasmonate (typically 0.1-100 µM). Receptor activation is measured using calcium imaging with fluorescent dyes (e.g., Fluo-4). For studies of potential cellular effects, neuronal cell lines or other relevant cell types can be treated with the compound, and cell viability, oxidative stress markers, and gene expression can be assessed.
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| Animal Protocol |
In vivo, Methyl dihydrojasmonate is not administered as a therapeutic agent. Its effects are studied in the context of fragrance perception and aromatherapy. Human subjects are exposed to the compound by inhalation, and physiological and psychological parameters (heart rate, blood pressure, stress hormone levels, mood) are measured before and after exposure. In animal studies, the compound may be administered by inhalation or intraperitoneal injection to study its effects on behavior and stress responses.
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| ADME/Pharmacokinetics |
Methyl dihydrojasmonate is a lipophilic compound with good volatility, which facilitates its use as a fragrance. It is absorbed through the respiratory tract when inhaled and is metabolized in the liver. The compound is excreted in urine and feces. Its pharmacokinetic properties are relevant to its use as a fragrance and aromatherapy agent. The compound is stable under normal storage conditions.
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| Toxicity/Toxicokinetics |
Methyl dihydrojasmonate is considered safe for use in fragrances and cosmetics at typical concentrations. It is not classified as a mutagen or carcinogen based on available data. The compound can cause skin irritation or sensitization in some individuals, particularly at high concentrations. It should be used according to recommended guidelines for fragrance ingredients. The compound is regulated by the International Fragrance Association (IFRA) and the Research Institute for Fragrance Materials (RIFM).
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| References | |
| Additional Infomation |
2-(3-oxo-2-pentylcyclopentyl)acetic acid methyl ester is a lipid. It is functionally related to jasmonic acid.
Methyl dihydrojasmonate is a widely used fragrance ingredient in perfumery, cosmetics, and personal care products. It is a key component of many fine fragrances and is valued for its diffusive floral scent. The compound is also used in aromatherapy for its calming properties. It is approved for use in fragrances in many countries and is subject to safety assessments by regulatory bodies. The compound is not a pharmaceutical drug and is not intended for therapeutic use. Its applications are primarily in the fragrance and flavor industries. |
| Molecular Formula |
C13H22O3
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|---|---|
| Molecular Weight |
226.32
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| Exact Mass |
226.156
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| CAS # |
24851-98-7
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| PubChem CID |
102861
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
307.8±15.0 °C at 760 mmHg
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| Flash Point |
130.8±20.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.453
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| LogP |
2.5
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
16
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| Complexity |
248
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C([H])([H])C([H])([H])C([H])(C([H])([H])C(=O)OC([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
KVWWIYGFBYDJQC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
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| Chemical Name |
methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
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| Synonyms |
Kharismal; Hedione; Methyl dihydrojasmonate
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (~441.87 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.05 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (11.05 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.4185 mL | 22.0926 mL | 44.1852 mL | |
| 5 mM | 0.8837 mL | 4.4185 mL | 8.8370 mL | |
| 10 mM | 0.4419 mL | 2.2093 mL | 4.4185 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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