| Size | Price | Stock | Qty |
|---|---|---|---|
| 5g |
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| Other Sizes |
| Targets |
Dehydroacetic acid targets bacterial and fungal cell membranes, disrupting their integrity and function. It also shows inhibitory action against SARS-CoV-2, inhibiting induced cytotoxicity of Caco-2 cells at 10 µM.
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|---|---|
| ln Vitro |
In vitro, dehydroacetic acid exhibits broad-spectrum antibacterial and antifungal activity. It inhibits the growth of various bacteria and fungi, making it an effective preservative. It also shows 15.97% inhibition against the SARS-CoV-2 3CL-Pro protease at 20 µM.
|
| ln Vivo |
In vivo, dehydroacetic acid is used primarily as a fungicide and bactericide in processed fruit and vegetables. It is also used as a preservative in cosmetics, food, and beverages.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for dehydroacetic acid typically involve evaluating its inhibitory activity against bacterial or fungal enzymes, or its binding to viral proteases. IC50 or EC50 values are determined using enzymatic activity assays or cell-based infection models.
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| Cell Assay |
For in vitro cell-based assays, dehydroacetic acid is dissolved in DMSO or aqueous buffers and applied to cultured cells such as Caco-2 cells at concentrations ranging from 1-100 µM. Effects on cell viability, microbial growth, or viral replication are assessed after 24-72 hours of treatment.
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| Animal Protocol |
In vivo animal studies for dehydroacetic acid are typically toxicological or preservative efficacy studies. The compound is administered orally or topically at doses ranging from 1-100 mg/kg.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
Metabolites in rabbits include: triacetin, dihydropyridine (DHA), and possibly triacetin 3-carboxylate. ...Natural products of adrenal steroid metabolism... Dehydroacetic acid has a molecular weight of 168.15 g/mol. It is used as a preservative in cosmetics, food, and beverages. It is valued for its stability and low toxicity. |
| Toxicity/Toxicokinetics |
Non-Human Toxicity Values
Oral LD50 in rats: 1,000 mg/kg Oral LD50 in rats: 570 mg/kg /sodium dehydroacetate hydrate/ Dehydroacetic acid has low toxicity and is considered safe for use in food and cosmetics. No significant acute or chronic toxicity has been reported at typical usage concentrations. |
| References | |
| Additional Infomation |
Dehydroacetic acid is a pyran-2,4-dione with an acetyl group at the 3-position and a methyl group at the 6-position. It is a bactericide and fungicide, primarily used in the processing of fruits and vegetables. It possesses bactericidal, antibacterial, and plasticizing properties. It is both a pyran-2,4-dione and a ketone.
Dehydroacetic acid is widely used as a preservative in personal care products, cosmetics, food, and beverages. It is also used as a plasticizer and as a chemical intermediate in organic synthesis. It is valued for its broad-spectrum antimicrobial activity and stability. |
| Molecular Formula |
C8H8O4
|
|---|---|
| Molecular Weight |
168.15
|
| Exact Mass |
168.042
|
| CAS # |
520-45-6
|
| PubChem CID |
122903
|
| Appearance |
NEEDLES FROM WATER, RHOMBIC NEEDLES OR PRISMS FROM ALCOHOL
WHITE TO CREAM CRYSTALLINE POWDER COLORLESS POWDER Colorless crystals |
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
332.6±42.0 °C at 760 mmHg
|
| Melting Point |
111-113 °C(lit.)
|
| Flash Point |
150.5±27.9 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.490
|
| LogP |
0.35
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
12
|
| Complexity |
287
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C(C([H])([H])[H])=C([H])C(C([H])(C(C([H])([H])[H])=O)C1=O)=O
|
| InChi Key |
PGRHXDWITVMQBC-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
|
| Chemical Name |
3-acetyl-6-methylpyran-2,4-dione
|
| Synonyms |
NSC-139150; NSC 139150; Dehydroacetic Acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~50 mg/mL (~297.35 mM)
H2O : ~0.67 mg/mL (~3.98 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.75 mg/mL (16.35 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 27.5 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: ≥ 2.75 mg/mL (16.35 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 27.5 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: ≥ 2.75 mg/mL (16.35 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 | 5.9471 mL | 29.7354 mL | 59.4707 mL | |
| 5 mM | 1.1894 mL | 5.9471 mL | 11.8941 mL | |
| 10 mM | 0.5947 mL | 2.9735 mL | 5.9471 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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