120-51-4
Benzyl benzoate
CAS: 120-51-4
Molecular Formula: C14H12O2
120-51-4 - Names and Identifiers
| Name | Benzyl benzoate |
| Synonyms | Ascabin Benylate Ascabiol Scabagen Vanzoate VANZOATE(R) Benzyl ester VENZONATE(R) Benzyl benzoate Benzyl benzoate BP BENZOATO DE BENCILO Benzyl phenylformate Phenylmethyl benzoate Benzoic acid benzyl ester Benzyl benzene carboxylate Benzyl alcohol benzoic ester Benzoic acid phenylmethyl ester |
| CAS | 120-51-4 |
| EINECS | 204-402-9 |
| InChI | InChI=1/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey | SESFRYSPDFLNCH-UHFFFAOYSA-N |
120-51-4 - Physico-chemical Properties
| Molecular Formula | C14H12O2 |
| Molar Mass | 212.24 |
| Density | 1.118 g/mL at 20 °C (lit.) |
| Melting Point | 17-20 °C (lit.) |
| Boling Point | 323-324 °C (lit.) |
| Flash Point | 298°F |
| JECFA Number | 24 |
| Water Solubility | practically insoluble |
| Solubility | Miscible with ethanol, alcohol, chloroform, ether, oils |
| Vapor Presure | 1 mm Hg ( 125 °C) |
| Appearance | Transparent liquid |
| Color | Clear colorless |
| Merck | 14,1127 |
| BRN | 2049280 |
| Storage Condition | 2-8°C |
| Stability | Stable. Substances to be avoided include strong oxidizing agents. Combustible. |
| Sensitive | Sensitive to light |
| Refractive Index | n20/D 1.568(lit.) |
| MDL | MFCD00003075 |
| Physical and Chemical Properties | Character white oily liquid, slightly viscous, pure product is flake crystal. There is a weak plum, almond aroma. melting point 21 ℃ boiling point 323~324 ℃ relative density 1.1121 refractive index 1.5690 flash point 148 ℃ solubility-insoluble in water and glycerol, soluble in most organic solvents. |
| Use | It is used for fixative of solvent and essence of Musk, substitute of camphor, also used for preparation of pertussis medicine, asthma medicine, etc |
120-51-4 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S25 - Avoid contact with eyes. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S46 - If swallowed, seek medical advice immediately and show this container or label. |
| UN IDs | UN 3082 9 / PGIII |
| WGK Germany | 2 |
| RTECS | DG4200000 |
| TSCA | Yes |
| HS Code | 29163100 |
| Hazard Class | 9 |
| Toxicity | LD50 in rats, mice, rabbits, guinea pigs (g/kg): 1.7, 1.4, 1.8, 1.0 orally (Draize) |
120-51-4 - Upstream Downstream Industry
| Raw Materials | Benzoic acid Benzoic acid |
120-51-4 - Nature
Open Data Verified Data
colorless oily liquid with weak Balsam and almond fragrance. Soluble in ethanol, ether, chloroform and oil, almost insoluble in water and glycerol.
Last Update：2025-06-10 22:55:16
120-51-4 - Preparation Method
Open Data Verified Data
The product was obtained by transesterification of ethyl benzoate with benzyl alcohol, washed with water, layered, dried and distilled. Alternatively, it is prepared by condensation of benzaldehyde.
Last Update：2025-06-10 22:55:16
120-51-4 - Introduction
It has a slightly pleasant aromatic smell and a burning smell. Can volatilize with water vapor. It is miscible with alcohol, chloroform, ether and oil, and insoluble in water or glycerin. Low toxicity, half lethal dose (rat, oral) 1700mg/kg. It's irritating.
Last Update：2022-10-16 17:12:33
120-51-4 - Application
Open Data Verified Data
mainly used as fixative. For the preparation of strawberry, pineapple, cherry and other fruit food flavor and wine flavor, but also for Jasmine, lily of the valley, ylang ylang, gardenia, Terminus, clove and other daily flavor. The amount of gum used was 280mg/kg; 39mg/kg in candy; 33mg/kg in baked food; 45mg/kg in soft drinks; 12mg/kg in cold drinks.
Last Update：2025-08-19 16:24:40
120-51-4 - Reference Information
| FEMA | 2138 | BENZYL BENZOATE |
| LogP | 4 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| freezing point | the freezing point of benzyl benzoate is ≥ 17 ℃. in winter, because it condenses into a solid, when using, the benzyl benzoate package can be placed in a drying room (temperature 35-70 ℃) or warm water (temperature 40-90 ℃) water bath for use after melting. |
| content analysis | determined by method 1 in ester content determination method (OT-18). The amount of sample taken is 1g. Equivalent factor in calculation (e) |
| toxicity | ADI 0~5 mg/kg(FAO/WHO,1994). LD50500mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 4.5; Cold drink 12; Candy 39; Baked food 33; Gum sugar 280. Moderate limit (FDA § 172.515,2000). |
| use | is a good fixer, diluent or solvent in essence, especially in flower fragrance. It can be used as a modifier in heavy floral and oriental fragrance types, tuberose, ylang ylang, lilac, gardenia and other fragrance types. It is also a stabilizer for high-carbon aldehyde or alcohol fragrances, and a good solvent for certain solid fragrances. It is also commonly used as a fixer in the formulation of edible flavors. benzyl benzoate can be used as a solvent for cellulose acetate, perfume fixing agent, candy flavoring agent, plastic plasticizer and insect repellent. When the product is used as a spice, the product specification can refer to Shanghai Q/QBH68-79, and the ester content is above 99%. It can be used as a fixer for a variety of floral flavors, and is also the only best solvent for solid flavors that are difficult to dissolve in flavors. It can dissolve artificial musk in flavors (1kg benzyl benzoate can dissolve 0.45kg sunflower musk, 0.205kg ketone musk or 0.28kg xylene musk), and is also used to prepare whooping cough medicine, asthma medicine, etc. In addition, benzyl benzoate is also used in textile auxiliaries, scabies creams, pesticide intermediates, etc.; in textile auxiliaries, mainly used as a dye guide, leveling agent, repair agent, etc.; in polyester and compact fiber The field is widely used. |
| Production method | Heat reaction of sodium benzyl alcohol with benzaldehyde, or reaction of sodium benzoate with benzyl chloride. Ethyl benzoate and benzyl alcohol are also used in the perfume industry. It is formed by the co-thermal esterification of sodium benzoate and benzoyl chloride in the presence of triethylamine. Under the conditions of stirring and cooling, sodium is dissolved in benzyl alcohol, then benzaldehyde is slowly added, and the effect is completely heated in a water bath for 1~2h, the precipitated oil layer is separated, washed and fractionated. Benzyl alcohol is esterified with benzoic acid. It is obtained by transesterification and fractionation of benzoate with benzyl alcohol using sodium carbonate as a catalyst. Br> benzyl benzoate naturally exists in Peruvian balsam, tuberose, carnation and tulu balsam, etc. It is usually produced by chemical synthesis in industry. 7g(0.07 mo1) benzyl alcohol was added to a 100mL round bottom flask, 0.3g(0.013mol) of sodium metal was added to dissolve in it within 30min, and after cooling to room temperature, it was slowly added into a 250mL three-mouth bottle containing 45.4g(0.43 mo1) benzaldehyde. The mixture heats up due to the reaction and is cooled with water so that the temperature does not exceed 50~60 ℃. After about 30min, when the temperature stopped rising, heating in the water bath to continue the reaction for 1h. After the reactants are cooled, use 40mI. Wash with water twice. The obtained oil is distilled under reduced pressure. Benzyl alcohol, unreacted benzaldehyde and a small amount of water are first distilled, and then a fraction of 184~185 ℃(2kPa) is collected to obtain about 40g of product. 2C6H5CHO→ C6H5COOCH2C6H5 benzyl alcohol and ethyl benzoate are transesterified in the presence of sodium carbonate. After the reaction is over, the ethanol is removed by atmospheric distillation, and then the benzyl alcohol is removed by vacuum distillation. After cooling, the product is washed, layered, dried, and finally distilled under reduced pressure. C6H5COOCH2CH3 C6H5CH2OH[Na2CO3]→C6H5COOCH2C6H5 CH3CH2OH |
| category | pesticide |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50:1700 mg/kg; Oral-mouse LD50: 1400 mg/kg |
| Explosive hazard characteristics | Intense reaction with oxidant |
| flammability hazard characteristics | more flammable liquid; combustion produces stimulating smoke |
| storage and transportation characteristics | ventilation and low temperature drying; storage with oxidant |
| fire extinguishing agent | dry powder, carbon dioxide, mist water |
| auto-ignition temperature | 896 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:05:10
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Raw Materials for 120-51-4