| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
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| Other Sizes |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
After oral administration, α-ionone underwent biochemical oxidation in rabbits and was mainly excreted in the urine as 5-oxo-cis-tetrahydroionone, indicating that the carbon atom 5 in the ionone structure was oxidized in vivo. Metabolism / Metabolites Two rabbits were fed a single dose of 170 g of pure α-ionone. Urine was collected and ether-soluble compounds were extracted. The major urinary metabolite was identified as 5-oxo-cis-tetrahydroionone. |
|---|---|
| Toxicity/Toxicokinetics |
Toxicity Summary
Identification and Uses: Alpha-ionone (AI) is a colorless to pale yellow liquid. AI is a fragrance ingredient widely used in perfumes, cosmetics, personal care products, household cleaners, and detergents. It is also a flavoring agent in beverages, baked goods, and confectionery. Additionally, AI is used as an ingredient in repellents for dogs and cats. AI is registered as an insecticide in the United States, but its approved insecticide uses may change periodically; therefore, it is essential to consult federal, state, and local authorities for information on currently approved uses. Human Exposure and Toxicity: Studies have found AI (32% acetone solution) to be moderately irritating. No reaction was observed in 1% of AI; one case of irritation/suspected reaction was observed in 5% of AI. Animal Studies: No skin irritation was observed in pure AI in miniature pigs. In guinea pig skin tests, AI showed moderate irritation. AI caused severe skin irritation in rabbits. AI was tested in male and female rats in a 90-day oral toxicity study. Both male and female rats showed a slight decrease in body weight gain and feed intake (10 mg/kg). In rats, hepatocyte swelling was observed after 17 weeks of feeding with a mixture of AI (60%) and β-ionone. No mutagenic activity against *Salmonella Typhimurium* strains TA98 and TA100 was observed at AI concentrations up to approximately 50 μg/plate, regardless of metabolic activation. AI at a concentration of 25 mM significantly increased chromosomal aberrations in Chinese hamster cells. Mouse micronucleus assays were negative. Non-Human Toxicity Values Intraperitoneal LD50 in mice: 2,277 mg/kg; Subcutaneous LD50 in mice: 2,605 mg/kg |
| References | |
| Additional Infomation |
Alpha-ionone is an ionone, enone, and methyl ketone. It has been reported to exist in tea plant (Camellia sinensis), motherwort (Leonurus japonicus), and other organisms with relevant data. Alpha-ionone belongs to the monocyclic monoterpenoid class of compounds. These monoterpenoids contain a ring in the isoprene chain. The RN given here refers to compounds without isomers; structure...
|
| Molecular Formula |
C13H20O
|
|---|---|
| Molecular Weight |
192.30
|
| Exact Mass |
192.151
|
| CAS # |
127-41-3
|
| PubChem CID |
5282108
|
| Appearance |
Colorless to light yellow liquid
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
257.6±0.0 °C at 760 mmHg
|
| Melting Point |
59 - 61ºC
|
| 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 |
282
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(/C=C/C1C(C)=CCCC1(C)C)=O
|
| InChi Key |
UZFLPKAIBPNNCA-BQYQJAHWSA-N
|
| InChi Code |
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
|
| Chemical Name |
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
|
| Synonyms |
alpha-Ionone
|
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~200 mg/mL (~1040.04 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (26.00 mM) (saturation unknown) in 10% DMSO +40% PEG300 +5% Tween-80 +45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution。
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 5 mg/mL (26.00 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 the 50.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD in saline and mix well. 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: ≥ 5 mg/mL (26.00 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 | 5.2002 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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