| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Ethyl benzoate does not have a specific pharmacological target. It is primarily used as a flavoring agent, perfume scent, and fragrance ingredient in cosmetics and personal care products.
|
|---|---|
| ln Vitro |
In vitro, Ethyl benzoate is not evaluated for pharmacological activity. Its properties are related to its use as a flavor and fragrance ingredient.
|
| ln Vivo |
In vivo, Ethyl benzoate is not used as a therapeutic agent. Its applications are in the food, cosmetic, and personal care industries.
|
| Enzyme Assay |
In vitro enzyme or receptor binding assay protocols are not applicable to Ethyl benzoate.
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| Cell Assay |
In vitro cell-based assay protocols are not applicable to Ethyl benzoate.
|
| Animal Protocol |
In vivo animal experimental protocols are not applicable to Ethyl benzoate.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of Ethyl benzoate are not relevant in a drug context. It is a volatile liquid with low water solubility.
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| Toxicity/Toxicokinetics |
Toxicity Summary
It is safe at the current usage and concentration. Ingredient, concentration, and usage information can be found at: https://cir-reports.cir-safety.org Toxicological data for Ethyl benzoate indicate it is generally recognized as safe (GRAS) for use as a food additive and in cosmetics at low concentrations. |
| References | |
| Additional Infomation |
Ethyl benzoate is a benzoic acid ester formed by the condensation of benzoic acid and ethanol. It is a volatile oil component found in ripe kiwifruit, cranberry juice, and palm kernel oil. It is both a flavoring agent and a volatile oil component. It is both a benzoic acid ester and an ethyl ester. Ethyl benzoate has also been reported in osmanthus, mugwort, and some other organisms with relevant data. Ethyl benzoate is present in alcoholic beverages. It is also found in many fruits, such as apples, bananas, and sweet cherries. Furthermore, it is found in milk, butter, wine, black tea, bourbon vanilla, and fruit brandy. Ethyl benzoate is a flavoring agent. Like many volatile esters, ethyl benzoate has a pleasant odor. It is an ingredient in some artificial fruit flavorings. Ethyl benzoate is an ester formed by the condensation of benzoic acid and ethanol. It is a colorless liquid, almost insoluble in water, but miscible with most organic solvents. See also: benzoic acid, C12-13-alkyl ester (note moved to); benzoic acid, C14-15-alkyl ester (note moved to); benzoic acid, C9-11-alkyl ester (note moved to).
Ethyl benzoate is a research-grade chemical used as a flavoring agent, fragrance ingredient, and solvent. It has no therapeutic applications and is not a drug. It is used in the food, cosmetic, and personal care industries. |
| Molecular Formula |
C9H10O2
|
|---|---|
| Molecular Weight |
150.17
|
| Exact Mass |
150.068
|
| CAS # |
93-89-0
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| Related CAS # |
Ethyl benzoate; 93-89-0
|
| PubChem CID |
7165
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| Appearance |
Liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
211.7±8.0 °C at 760 mmHg
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| Melting Point |
-34 °C
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| Flash Point |
84.4±0.0 °C
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| Vapour Pressure |
0.2±0.4 mmHg at 25°C
|
| Index of Refraction |
1.505
|
| Source |
Originated from plants: Compositae Artemisia monosperma Delile
|
| LogP |
2.73
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
11
|
| Complexity |
126
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCOC(=O)C1=CC=CC=C1
|
| InChi Key |
MTZQAGJQAFMTAQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
|
| Chemical Name |
ethyl 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) |
Typically soluble in DMSO (e.g. 10 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (33.29 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.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 5 mg/mL (33.29 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 DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD 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. Solubility in Formulation 3: ≥ 5 mg/mL (33.29 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.6591 mL | 33.2956 mL | 66.5912 mL | |
| 5 mM | 1.3318 mL | 6.6591 mL | 13.3182 mL | |
| 10 mM | 0.6659 mL | 3.3296 mL | 6.6591 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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