| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
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| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
Data on the dermal absorption of benzyl benzoate are currently unavailable. Some early studies have indicated some dermal absorption, but the amount absorbed has not been quantified. This study evaluated the maternal and fetal toxicity of benzyl benzoate (a commonly used antiparasitic insecticide) in pregnant rats at daily oral doses of 25 and 100 mg/kg. Biochemical, histopathological, and morphological examinations were performed. Maternal weight, food and water consumption were observed, and cesarean sections were performed on day 20 of gestation (GD 20). Histopathological examination of the liver, kidneys, heart, brain, and placenta of both maternal and fetal rats was conducted under an optical microscope. Immunohistochemical staining for vascular endothelial growth factor (VEGF) was performed on the liver and placenta of both maternal and fetal rats. Morphometric analysis was performed on fetal body length, placental measurements, and fetal skeletal staining. Statistically significant changes were observed in biochemical parameters, placental measurements, and skeletal measurements in the treatment group. In addition to histopathological changes, significant differences in VEGF immunolocalization were also observed in the treatment group. These results indicate that benzyl benzoate and its metabolites can be transported to the placenta and ultimately enter the fetus. In in vivo studies in humans and monkeys, the percutaneous absorption of benzyl benzoate was measured. With the administration site closed, 54% of the administered dose permeated into the human skin within 24 hours, while the absorption rate through the monkey skin was 69%. Metabolites/Metabolites: Rapidly hydrolyzed to benzoic acid and benzyl alcohol, with benzyl alcohol further oxidized to benzoic acid. Benzoic acid combines with glycine to form hippuric acid. It is then converted to hippuric acid in vivo. |
| References | |
| Additional Infomation |
Benzyl benzoate is a benzoic acid ester formed by the condensation of benzoic acid and benzyl alcohol. It has been isolated from plants of the genus Acer. Benzyl benzoate is used as an insecticide, acaricide, and plant metabolite for scabies. It is a benzyl ester and benzoic acid ester, functionally related to benzoic acid. Benzyl benzoate was one of the early drugs used to treat scabies. Scabies is a skin infection caused by the scabies mite (Sarcoptes scabiei). It is characterized by intense itching (especially at night), the appearance of red spots, and can lead to secondary infections. Benzyl benzoate is lethal to the scabies mite and is therefore used to treat scabies. It is also used to treat lice infestations on the head and body. Due to its irritant properties, benzyl benzoate is not a first-line drug for treating scabies. Benzyl benzoate has been reported to be found in the tea tree (Camellia sinensis), the Chinese mitten crab (Desmos chinensis), and other organisms with relevant data. Drug Indications Used to kill lice and mites that cause scabies. Mechanism of Action Benzyl benzoate is toxic to the nervous system of the parasites, leading to their death. It is also toxic to mite eggs, but the exact mechanism of action is unclear. In vitro studies have shown that benzyl benzoate can kill scabies mites within 5 minutes.
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| Molecular Formula |
C14H12O2
|
|---|---|
| Molecular Weight |
212.24388
|
| Exact Mass |
217.115
|
| CAS # |
347840-01-1
|
| Related CAS # |
Benzyl benzoate;120-51-4
|
| PubChem CID |
2345
|
| Appearance |
Leaflets or oily liquid
Water-white liquid Colorless, oily liquid Clear, colorless liquid |
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
324.1±11.0 °C at 760 mmHg
|
| Flash Point |
147.8±0.0 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.579
|
| LogP |
3.97
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
16
|
| Complexity |
213
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1C=CC(C(OCC2C([2H])=C([2H])C([2H])=C([2H])C=2[2H])=O)=CC=1
|
| InChi Key |
SESFRYSPDFLNCH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
|
| Chemical Name |
benzyl benzoate
|
| 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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| 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 | 4.7116 mL | 23.5582 mL | 47.1165 mL | |
| 5 mM | 0.9423 mL | 4.7116 mL | 9.4233 mL | |
| 10 mM | 0.4712 mL | 2.3558 mL | 4.7116 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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