| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
A 3 kg male rabbit was orally administered a total of 23 g beta-ionone for 7 days (approx. 1000 mg/kg bw/day). Urine was collected daily and for 4 days after the final dose. Allylic ring oxidation and ketone reduction yielded 3-oxo-ionone, 3-oxo-beta-ionol, dihydro-3-oxo-beta-ionol, and 3-hydroxy-beta-ionol, which were detected in the urine. Unchanged beta-ionone and the glucuronic acid conjugates of 3-oxo-beta-ionol and dihydro-3-oxo-beta-ionol were also detected. /Researchers/ fed beta-ionone to three rabbits in daily increasing doses of 2-5 g with a total dose of about 30 g in one week. In another test, feeding continued for two weeks in daily doses of 4 g, which increased to 5 g towards the end. In this schedule, the dose was not administered on some days. Urine was collected from all animals and analyzed for the presence of metabolites. The metabolites identified included 3-oxo-beta-ionone, bionol, dihydro-beta-ionol, oxy-beta-ionol, oxy-dihydro-beta-ionol, and oxy-dihydro-beta-ionone. Tetrahydro derivatives and multiple unsaturated products formed by dehydrogenation were not seen. Two separate feeding tests conducted in the spring and in the fall showed that conversion products of beta-ionone which are hydrogenated to the -hydroxyl and -carbonyl groups were excreted in the spring but not in the fall. |
|---|---|
| References | |
| Additional Infomation |
Beta-ionone is a colorless to light yellow liquid with an odor of cedar wood. In very dilute alcoholic solution the odor resembles odor of violets. Used in perfumery.
Beta-ionone is an ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. It has a role as an antioxidant and a fragrance. beta-Ionone has been reported in Camellia sinensis, Perilla frutescens, and other organisms with data available. beta-Ionone is a metabolite found in or produced by Saccharomyces cerevisiae. |
| Molecular Formula |
C13H20O
|
|---|---|
| Molecular Weight |
192.30
|
| Exact Mass |
192.151
|
| CAS # |
79-77-6
|
| PubChem CID |
638014
|
| Appearance |
Colorless to pale, straw-colored liquid
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
257.6±0.0 °C at 760 mmHg
|
| Melting Point |
-49°C
|
| Flash Point |
104.4±0.0 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.512
|
| LogP |
3.86
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
14
|
| Complexity |
292
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1=C(C(CCC1)(C)C)/C=C/C(=O)C
|
| InChi Key |
PSQYTAPXSHCGMF-BQYQJAHWSA-N
|
| InChi Code |
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
|
| Chemical Name |
(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
|
| 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) |
Typically soluble in DMSO (e.g. 10 mM)
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2002 mL | 26.0010 mL | 52.0021 mL | |
| 5 mM | 1.0400 mL | 5.2002 mL | 10.4004 mL | |
| 10 mM | 0.5200 mL | 2.6001 mL | 5.2002 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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