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| Other Sizes |
| Targets |
Piperonyl acetone does not have a defined specific biological target as it is primarily used as a food additive and fragrance ingredient. Its biological activity extends beyond these uses, particularly as a synergist in insecticides, enhancing the efficacy of certain pesticides, especially organophosphates. The compound's methylenedioxyphenyl group-containing structure is utilized as an intermediate for synthesizing derivatives with potential pharmacological activities related to nervous system regulation, antioxidant effects, or anti-inflammatory pathways.
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| ln Vitro |
Piperonyl acetone's in vitro activity is primarily assessed in the context of its role as a chemical intermediate and insecticide synergist. It exhibits various biological activities, particularly in enhancing the efficacy of pesticides. As a food additive, it is evaluated for its safety and stability in food matrices. In biological research, it serves as a building block for synthesizing other potentially bioactive compounds. Detailed quantitative in vitro activity data against specific biological targets are not well-documented in publicly available literature.
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| ln Vivo |
Piperonyl acetone is not intended for direct in vivo pharmacological use. It is formulated into insect repellents, offering an alternative to synthetic chemicals while maintaining efficacy against pests. As a fragrance ingredient and food additive, its safety has been assessed for human exposure through ingestion and dermal contact. In agricultural applications, it acts as a repellent for various pests. No significant systemic pharmacological effects are reported as it is not designed for therapeutic use.
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| Enzyme Assay |
Piperonyl acetone does not have established receptor binding or enzyme inhibition assay protocols as it is not a pharmacologically active drug. Its identity and purity are confirmed by standard analytical methods including NMR, HPLC, and GC. Physical properties such as solubility (DMSO: 38 mg/mL, 197.7 mM) and storage conditions (4°C, sealed, away from moisture) are characterized. No specific biochemical assay protocols are applicable for this compound.
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| Cell Assay |
Cell-based studies with Piperonyl acetone are not typically conducted as it is a food additive and fragrance ingredient rather than a pharmacological agent. If used in cell culture, it would be as a solvent or chemical intermediate. No specific cellular activity or cytotoxicity data are reported. Standard cell culture protocols would apply if cellular effects were to be evaluated, including appropriate solvent controls and viability assessment. The compound is not intended for direct cellular pharmacological evaluation.
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| Animal Protocol |
In vivo studies with Piperonyl acetone are primarily conducted for safety assessment as a food additive and fragrance ingredient. Toxicology studies in animals evaluate its safety profile for human exposure. In agricultural research, it is tested for insect repellent efficacy in field settings. Standard endpoints include evaluation of systemic toxicity, skin sensitization, and irritation potential. No therapeutic efficacy studies are conducted as it is not a drug candidate.
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| ADME/Pharmacokinetics |
Piperonyl acetone has a molecular weight of 192.21 g/mol and a molecular formula of C11H12O3. Solubility: DMSO 38 mg/mL (197.7 mM). Storage: 4°C, sealed, away from moisture; in solvent: -80°C for 6 months, -20°C for 1 month. As a food additive and fragrance ingredient, it is absorbed through ingestion and dermal routes. Pharmacokinetic parameters such as bioavailability and half-life are not well-characterized, as it is not a therapeutic agent.
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| Toxicity/Toxicokinetics |
Piperonyl acetone is recognized as safe for use as a food additive and fragrance ingredient. It has been evaluated in safety assessments for human exposure through ingestion and dermal contact. It is not considered a significant toxicant at intended use levels. Standard toxicology studies would include acute, subchronic, and chronic toxicity assessments, as well as skin and eye irritation tests. The compound is not intended for human therapeutic use and has not undergone clinical safety evaluation.
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| Additional Infomation |
4-(3,4-methylenedioxyphenyl)-2-butanone is a member of the benzodioxane class of compounds.
Piperonyl acetone is also known as NSC-405365, 4-(1,3-Benzodioxol-5-yl)butan-2-one, and Dulcinyl. It is used as a food additive in edible seasonings and as a key ingredient in perfumes and scented products. It is effective in formulating natural insect repellents and acts as a synergist in insecticides. No clinical trials or regulatory approvals for therapeutic use have been reported. The compound is for research and industrial use only. |
| Molecular Formula |
C11H12O3
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|---|---|
| Molecular Weight |
192.21
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| Exact Mass |
192.078
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| CAS # |
55418-52-5
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| PubChem CID |
62098
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
294.5±9.0 °C at 760 mmHg
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| Melting Point |
49-54 °C(lit.)
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| Flash Point |
122.8±5.1 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.539
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| LogP |
1.53
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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 |
3
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| Heavy Atom Count |
14
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| Complexity |
215
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(=O)CCC1=CC=C2C(=C1)OCO2
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| InChi Key |
TZJLGGWGVLADDN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
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| Chemical Name |
4-(1,3-benzodioxol-5-yl)butan-2-one
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| Synonyms |
NSC-405365; NSC 405365; Piperonyl acetone
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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, avoid exposure to moisture. |
| 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 (~520.26 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.01 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 (13.01 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 (13.01 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 | 5.2026 mL | 26.0132 mL | 52.0264 mL | |
| 5 mM | 1.0405 mL | 5.2026 mL | 10.4053 mL | |
| 10 mM | 0.5203 mL | 2.6013 mL | 5.2026 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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