Benzoic acid ethyl ester
Ethyl benzoate
CAS: 93-89-0
Molecular Formula: C9H10O2
Benzoic acid ethyl ester - Names and Identifiers
| Name | Ethyl benzoate |
| Synonyms | Ethyl benzoate Benzoic acid ethyl Benxoicacidethylester Benzoic acid ethyl ester Ethyl benzoate, extra pure ETHYL BENZOATE FOR SYNTHESIS 1 L ETHYL BENZOATE FOR SYNTHESIS 250 ML |
| CAS | 93-89-0 |
| EINECS | 202-284-3 |
| InChI | InChI=1/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
Benzoic acid ethyl ester - Physico-chemical Properties
| Molecular Formula | C9H10O2 |
| Molar Mass | 150.17 |
| Density | 1.045g/mLat 25°C(lit.) |
| Melting Point | -34 °C |
| Boling Point | 212°C(lit.) |
| Flash Point | 184°F |
| JECFA Number | 852 |
| Water Solubility | INSOLUBLE |
| Solubility | 0.5g/l |
| Vapor Presure | 1 mm Hg ( 44 °C) |
| Vapor Density | 5.17 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless to pale yellow |
| Merck | 14,3766 |
| BRN | 1908172 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Explosive Limit | 1%(V) |
| Refractive Index | n20/D 1.504(lit.) |
| Physical and Chemical Properties | Colorless liquid. Aromatic odor. The relative density of 1.0458(25/4 deg C). Melting Point -32.7 °c. Boiling Point 213 °c. Refractive index 1.5205(15 degrees C). Slightly soluble in hot water, soluble in ethanol and ether. |
| Use | It is used for the preparation of blue flavor and soap flavor, and also used as a solvent for cellulose ester, cellulose ether, resin, etc. |
Benzoic acid ethyl ester - Risk and Safety
| Hazard Symbols | N - Dangerous for the environment |
| Risk Codes | 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3082 9 / PGIII |
| WGK Germany | 1 |
| RTECS | DH0200000 |
| TSCA | Yes |
| HS Code | 29163100 |
| Toxicity | LD50 orally in rats: 6.48 g/kg, Smyth et al., Arch. Ind. Hyg. Occup. Med. 10, 61 (1954) |
Benzoic acid ethyl ester - Nature
Open Data Verified Data
colorless liquid with aroma similar to wintergreen oil and ylang oil. Soluble in ethanol, ether, petroleum ether, propylene glycol, mineral oil and most non-volatile oils, insoluble in water and glycerol.
Last Update：2024-01-02 23:10:35
Benzoic acid ethyl ester - Preparation Method
Open Data Verified Data
obtained by direct esterification of benzoic acid with ethanol by distillation.
Last Update：2022-01-01 10:07:35
Benzoic acid ethyl ester - Use
Open Data Verified Data
can be used as food flavor, mixing banana, strawberry, peach, cherry, grape, vanilla, walnut, black currant, etc. The amount used was 59mg/kg in the gum; 10 mg/kg in the baked food; 9.0 mg/kg in the candy; 2.8 mg/kg in the soft drink; 2.8 mg/kg in the cold drink. It is also used for wine flavor and tobacco flavor.
Last Update：2022-01-01 10:07:36
Benzoic acid ethyl ester - Reference Information
| FEMA | 2422 | ETHYL BENZOATE |
| relative polarity | 0.228 |
| LogP | 2.59 at 23℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| assay | method one was determined by method one in the ester assay (OT-18). The amount of the sample was 900mg. Equivalent factor (e) in calculation |
| toxicity | ADI 5 mg/kg(CE). GRAS(FEMA).LD20 2100mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 2.8; Cold drink 2.8; Candy 9.0; Baked goods 10; pudding 0.06; Gum |
| Use | ethyl benzoate is a food spice that is allowed to be used in China's "hygienic standard for the use of food additives". It is mainly used in the preparation of black currant, strawberry, cherry, banana, grape and other fruit food flavor. In the amount of gum sugar in 59mg/kg; Baked food 10mg/kg; Candy 9.0mg/kg; Soft drink 2.8mg/kg; Cold drink 2.8mg/kg. used in the preparation of flavor, also used as a solvent for cellulose ester, cellulose ether, resin and so on used as a solvent and flavor adjuvant, also used in organic synthesis GB 2760 a 96 regulation for the allowed use of edible spices. Mainly used for the preparation of cherry, black currant (black currant), strawberry flavor. It is commonly used in heavier floral fragrance types, especially in ylang ylang type, and other fragrance types such as Carnation and tuberosity. It is also suitable for the preparation of new Humulus scandens and other non-floral essence. Can be used with the rock rose products for leather flavor. It can also be used as a flavor in fresh fruits, berries, nuts, such as banana, cherry, plum, grape and other flavors, as well as tobacco and wine flavors. This product has the aroma of wintergreen oil and carnanga oil, and is sweet and smooth. For the preparation of artificial ylang-ylang oil and sesame oil under the moon. Can be used in trace amounts for food flavor, tobacco and edible berry flavor, can also be used as cellulose ester, cellulose ether, resin solvent. It is used for the preparation of blue-based flavor and soap flavor, and also used as a solvent for cellulose esters, cellulose ethers, resins, etc. ester synthetic fragrance. It is mainly used as the blend fragrance of the essence such as tuberosity, Rose, ylang ylang, carnation, etc. |
| production method | is obtained by esterification of benzoic acid with ethanol. it is prepared by esterification of benzoic acid and ethanol in the presence of anhydrous aluminum sulfate and trace sulfuric acid. add 24.4g(0.2 mo1) of benzoic acid, 50ml of benzene, 18.4g(0.4 mo1) of ethanol and 0.8g of sulfuric acid to a triple bottle with a water trap, slowly heat and reflux until the water separator is free of water. The reactants were distilled at atmospheric pressure to recover benzene and the remaining ethanol, and then distilled under reduced pressure to collect a fraction of 101 to 103 ° C. (2.66kPa) to obtain about 28g of product. C6H5COOH CH3CH2OH[H2SO4]→C6H5COOCH2CH3 H2O |
| autoignition temperature | 914 ° F. |
Last Update：2024-04-09 15:16:53
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