| Size | Price | |
|---|---|---|
| Other Sizes |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
/IN BIOTRANSFORMATION OF ANETHOLE/...ANISIC ACID...CONSTITUTED THE MAJOR URINARY METABOLITE. ...THERE WAS A QUANTITATIVE RECOVERY OF THE DOSE ADMIN. TRANS-ANETHOLE WAS AMONG 4 FOOD ADDITIVES STUDIED & FOUND LARGELY ABSORBED FROM DIGESTIVE TRACT BY PASSIVE DIFFUSION. ABSORPTION KINETICS VARY PARTIALLY BY DIFFERENCES OF COMPD IN COEFFICIENTS OF LIPOSOLUBILITY. ...TRANS-ANETHOLE USED IN PREPN OF ANIS-FLAVORED ALCOHOLIC BEVERAGES WAS STUDIED IN THE RABBIT & RAT AFTER IV & ORAL ADMIN. IT WAS EXCRETED RAPIDLY FROM THE ANIMAL REGARDLESS OF /ROUTE/ OF ADMIN. AFTER IV INJECTION, IT WAS FOUND CONCENTRATED IN LIVER, LUNGS & BRAIN; AFTER ORAL ADMIN...MOST OF IT REMAINED IN STOMACH. TRANS-ANETHOLE IS ONE OF THE COMPOUNDS LARGELY ABSORBED FROM THE DIGESTIVE TRACT BY MECHANISM OF PASSIVE DIFFUSION. THE METABOLITES OF ANETHOLE IN RATS WERE IDENTIFIED AND DETERMINED. MOST OF THE URINARY METABOLITES WERE ALSO DETECTED IN THE BILE. Metabolism / Metabolites ANETHOLE YIELDS PARA-PROPENYLPHENOL IN RABBIT, MOUSE, GUINEA PIG, & DOG. ANETHOLE YIELDS PARA-PROPENYLPHENOL IN RAT. /FROM TABLE/ ANETHOLE YIELDS ANISIC ACID IN MAN, RABBIT, & RAT. ANETHOLE YIELDS PARA-METHOXYCINNAMYL ALCOHOL IN RAT. OXIDATIVE O-DEMETHYLATION LEADING TO P-HYDROXYPROPENYLBENZENE & P-HYDROXYCINNAMIC ACID WAS FOUND TO BE A MAJOR BIOTRANSFORMATION OF ANETHOLE. METABOLISM VIA CINNAMOYL DERIV WAS MORE EXTENSIVE WITH THE PROPENYL SUBSTITUENT THAN FOR THE ALLYL COMPD; & FURTHER METABOLISM BY BETA-OXIDATION ALSO OCCURRED. |
|---|---|
| Toxicity/Toxicokinetics |
Interactions
MEAN SLEEPING TIME IN MICE TREATED WITH 50 MG/KG NA-PENTOBARBITAL ABOUT DOUBLED WITH 20 & 50 MG OF SOME COMPD; ANETHOLE WAS LESS ACTIVE. |
| References |
|
| Additional Infomation |
Anethole appears as white crystals or a liquid. Odor of anise oil and a sweet taste. (NTP, 1992)
Anethole is a monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4. It has a role as a plant metabolite. Anethole has been reported in Malus, Asarum epigynum, and other organisms with data available. Anethole is a metabolite found in or produced by Saccharomyces cerevisiae. |
| Molecular Formula |
C10H12O
|
|---|---|
| Molecular Weight |
148.21
|
| Exact Mass |
148.088
|
| CAS # |
104-46-1
|
| Related CAS # |
Anethole trithione;532-11-6
|
| PubChem CID |
637563
|
| Appearance |
Colorless to off-white <20°C powder,>21°C liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
237.5±9.0 °C at 760 mmHg
|
| Melting Point |
20-21 °C(lit.)
|
| Flash Point |
90.6±0.0 °C
|
| Vapour Pressure |
0.1±0.5 mmHg at 25°C
|
| Index of Refraction |
1.545
|
| LogP |
3.17
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
11
|
| Complexity |
121
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])[H])C1C([H])=C([H])C(C([H])=C([H])C([H])([H])[H])=C([H])C=1[H]
|
| InChi Key |
RUVINXPYWBROJD-ONEGZZNKSA-N
|
| InChi Code |
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
|
| Chemical Name |
1-methoxy-4-[(E)-prop-1-enyl]benzene
|
| Synonyms |
AI3 00380; AI3-00380; Anethole
|
| 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 : ≥ 250 mg/mL (~1686.91 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.87 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 (16.87 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 (16.87 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 | 6.7472 mL | 33.7359 mL | 67.4718 mL | |
| 5 mM | 1.3494 mL | 6.7472 mL | 13.4944 mL | |
| 10 mM | 0.6747 mL | 3.3736 mL | 6.7472 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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