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| Other Sizes |
| Toxicity/Toxicokinetics |
Toxicity Summary
Identification and Uses: Jasmone is a pale yellow, viscous liquid (oil). It is commonly used in perfumery and is a raw material for high-quality jasmine-based and floral perfumes. Human Exposure and Toxicity: Jasmone did not cause skin sensitization in human volunteers. Animal Studies: In an acute skin toxicity study, 10 rabbits were given 5 g/kg of cis-jasmone and observed for 14 days. Nine animals developed severe erythema, and all animals developed moderate edema. Two rabbits developed eschar. Jasmone is non-irritating or non-sensitizing to guinea pigs. In a rabbit eye irritation study, the highest dose group showed significant erythema, increased secretions, and edema, which completely subsided by day 6. The remaining dose groups showed mild to moderate erythema and secretions, which completely subsided by day 3. Jasmone did not show mutagenicity in Ames plate incorporation assays and pre-incubation assays at concentrations up to 2500 μg/plate, regardless of metabolic activation. The Salmonella typhimurium strains used in the experiment were TA98, TA100, TA102, TA1535, and TA1537. However, in cytogenetic analysis of Chinese hamster ovary (CHO) cells, the frequency of sister chromatid exchange (SEC) was significantly increased at concentrations of 33.3 μM and 100 μM and 300 μM (maximum test dose). Non-human toxicity values Oral LD50 in rats: 5000 mg/kg Dermal LD50 in rats: >5 g/kg |
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| References | |
| Additional Infomation |
Jasmone is a cyclic ketone. It has been reported to be found in Malabar spinach, Malabar spinach, and other organisms with relevant data.
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| Molecular Formula |
C11H16O
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|---|---|
| Molecular Weight |
164.24
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| Exact Mass |
164.12
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| CAS # |
488-10-8
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| PubChem CID |
1549018
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
264.2±0.0 °C at 760 mmHg
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| Melting Point |
203 - 205ºC
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| Flash Point |
107.2±0.0 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.491
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| LogP |
2.9
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
3
|
| Heavy Atom Count |
12
|
| Complexity |
233
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC/C=C\CC1=C(C)CCC1=O
|
| InChi Key |
XMLSXPIVAXONDL-PLNGDYQASA-N
|
| InChi Code |
InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-
|
| Chemical Name |
3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one
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| Synonyms |
BRN 1907713; (Z)-Jasmone; Jasmone
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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 (~608.87 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.22 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 (15.22 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 (15.22 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 | 6.0887 mL | 30.4433 mL | 60.8865 mL | |
| 5 mM | 1.2177 mL | 6.0887 mL | 12.1773 mL | |
| 10 mM | 0.6089 mL | 3.0443 mL | 6.0887 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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