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Deshang Chemical
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Benzyl benzoate CAS 120-51-4

Benzyl benzoate CAS 120-51-4

Benzyl benzoate CAS 120-51-4

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CAS number : 120-51-4


molecular formula : C14H12O2


EINECS : 204-402-9


——————


Email : info@deshangchem.com


Mobile : +86-13153039501


TEL : +86-531-88752665


Product details

CAS number:120-51-4
molecular formula:C14H12O2
molecular weight:212.24
EINECS number:204-402-9

English synonyms

Benzyl benzoate ReagentPlus(R), >=99.0%;Benzyl benzoate Vetec(TM) reagent grade, 98%;Benzoic acid benzyl ester≥ 99% (GC);VANZOATE(R);VENZONATE(R);Benylate;Benzyl alcohol benzoic ester;Benzyl ester

Related categories

Analytical purity; organic raw materials; pharmaceutical raw materials; small molecule inhibitors; flavors and fragrances; synthetic flavors; daily necessities; flavors and flavors; organic and inorganic chemicals; food additives; food flavors; Spices; standard products; medical raw materials; steroids - raw materials - cinnamon series; additives; chemical products - organic solvents; raw material intermediates - raw materials; chemical products - organic chemicals; intermediates; organic chemical raw materials; lipids; Daily chemical raw materials; aromatic hydrocarbons; Building Blocks; fragrances for cosmetics; flavors and fragrances; organic chemicals; CYSTADANE; plant biochemical extracts; organochlorine pesticides; other biochemical reagents; insecticides; industrial raw materials; chemical intermediates; biochemical reagents; Chemical raw materials; chemical industry; reference substances-traditional Chinese medicine reference substances; organic chemical raw materials; chemical raw materials; analytical reagents-other analysis; pharmaceutical raw materials and intermediates; chemical materials; pharmaceutical, pesticide and dye intermediates; cinnamon series products; agricultural chemicals; Monomer spices; Organic intermediates; General biochemical reagents-organic acids; Plant extracts; Toluene oxidation series; Chemical products; APIs; Chemical reagents; INORGANIC & ORGANIC CHEMICALS; Carbonyl Compounds;Chemical Synthesis;Esters;Nutrition Research;Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);Vaccinium macrocarpon (Cranberry);Solvent;Chemical;120-51-4

Chemical properties

Melting point

17-20 °C (lit.)

Boiling point

323-324 °C (lit.)

Density

1.118 g/mL at 20 °C (lit.)

Vapor Pressure

1 mm Hg ( 125 °C)

Refractive index

n20/D 1.568(lit.)

FEMA 

2138 | BENZYL BENZOATE

Flash point 

298 °F

Storage conditions

2-8°C

Solubility

Miscible with ethanol, alcohol, chloroform, ether, oils.

Shape

Liquid

Color

Clear colorless

Water solubility

practically insoluble

Merck 

14,1127

JECFA Number

24

BRN 

2049280

Stability

Stable. Substances to be avoided include strong oxidizing agents. Combustible.

InChIKey

SESFRYSPDFLNCH-UHFFFAOYSA-N

LogP

4 at 20℃

CAS database

120-51-4(CAS DataBase Reference)

Benzyl benzoate is a white oily liquid in appearance, slightly viscous, and the pure product is flaky crystal; it has a faint aroma of plum and almond; it is insoluble in water and glycerin, and soluble in most organic solvents.

Use

●  It is a better fixative, diluent or solvent in essence, especially in floral fragrance. It can be used as a modifier in heavy floral and oriental fragrance types, as well as fragrance types such as tuberose, ylang-ylang, lilac, gardenia, etc. It is also a stabilizer for high-carbon aldehydes or alcohol fragrances, and a good solvent for certain solid fragrances. It is also commonly used as a fixative in food flavor formulations.

●  Benzyl benzoate can be used as a solvent for cellulose acetate, a spice fixative, a candy flavoring agent, a plastic plasticizer, and an insect repellant. When this product is used as a spice, the product specifications can refer to Shanghai Q/QBH68-79, and the ester content is above 99%. It can be used as a fixative for a variety of floral essences, and it is also the only best solvent for solid fragrances that are difficult to dissolve in essences. It can dissolve artificial musk in essences (1kg benzyl benzoate can dissolve 0.45kg sunflower musk, 0.205kg Ketone musk or 0.28kg xylene musk), also used in the preparation of whooping cough medicine, asthma medicine, etc.
In addition, benzyl benzoate is also used in textile auxiliaries, scabies cream, pesticide intermediates, etc.; in textile auxiliaries, it is mainly used as dyeing agent, leveling agent, repairing agent, etc.; in polyester and compact fiber Wide range of applications.

Production method

●  Sodium benzyl alkoxide is reacted with benzaldehyde by heating, or sodium benzoate is reacted with benzyl chloride. In the fragrance industry, ethyl benzoate and benzyl alcohol are also used for transesterification.

●  It is formed by co-thermal esterification of sodium benzoate and benzoyl chloride in the presence of triethylamine.
Under stirring and cooling conditions, dissolve sodium in benzyl alcohol, then slowly add benzaldehyde, heat on a water bath for 1 to 2 hours after the effect is complete, separate the precipitated oil layer, wash and fractionate it to obtain it.
Esterification of benzyl alcohol and benzoate.
It can be obtained by transesterification of methyl (b) benzoate with sodium carbonate as a catalyst and benzyl alcohol after fractional distillation.

●  Benzyl benzoate naturally exists in Peru balsam, tuberose, carnation and tolu balsam, etc., and is usually produced by chemical synthesis in industry.
Add 7g (0.07mol) benzyl alcohol to a 100mL round bottom flask, add 0.3g (0.013mol) sodium metal to dissolve in it within 30min, heat and dissolve it, and slowly add 45.4g (0.43mol) benzaldehyde after cooling to room temperature 250mL three-necked bottle. The mixture is exothermic due to the reaction, and is cooled with water so that the temperature does not exceed 50-60°C. After about 30 minutes, when the temperature stopped rising, the reaction was continued for 1 hour by heating in a water bath. After the reactant was cooled, use 40mI. Wash with water 2 times. The obtained oil was distilled under reduced pressure, and benzyl alcohol, unreacted benzaldehyde and a small amount of water were first distilled off, and then the fraction at 184-185°C (2kPa) was collected to obtain about 40g of the product.
2C6H5CHO→C6H5COOCH2C6H5
Benzyl alcohol and ethyl benzoate carry out transesterification in the presence of sodium carbonate, and after the reaction finishes, first normal pressure distillation removes ethanol, and then decompression distillation removes benzyl alcohol. After cooling, wash with water, separate layers, dry, and finally distill under reduced pressure to obtain the product.
C6H5COOCH2CH3+C6H5CH2OH[Na2CO3]→C6H5COOCH2C6H5+CH3CH2OH


Benzyl benzoate CAS 120-51-4

Benzyl benzoate CAS 120-51-4

Benzyl benzoate CAS 120-51-4

CAS number : 120-51-4


molecular formula : C14H12O2


EINECS : 204-402-9


——————


Email : info@deshangchem.com


Mobile : +86-13153039501


TEL : +86-531-88752665


Product details

CAS number:120-51-4
molecular formula:C14H12O2
molecular weight:212.24
EINECS number:204-402-9

English synonyms

Benzyl benzoate ReagentPlus(R), >=99.0%;Benzyl benzoate Vetec(TM) reagent grade, 98%;Benzoic acid benzyl ester≥ 99% (GC);VANZOATE(R);VENZONATE(R);Benylate;Benzyl alcohol benzoic ester;Benzyl ester

Related categories

Analytical purity; organic raw materials; pharmaceutical raw materials; small molecule inhibitors; flavors and fragrances; synthetic flavors; daily necessities; flavors and flavors; organic and inorganic chemicals; food additives; food flavors; Spices; standard products; medical raw materials; steroids - raw materials - cinnamon series; additives; chemical products - organic solvents; raw material intermediates - raw materials; chemical products - organic chemicals; intermediates; organic chemical raw materials; lipids; Daily chemical raw materials; aromatic hydrocarbons; Building Blocks; fragrances for cosmetics; flavors and fragrances; organic chemicals; CYSTADANE; plant biochemical extracts; organochlorine pesticides; other biochemical reagents; insecticides; industrial raw materials; chemical intermediates; biochemical reagents; Chemical raw materials; chemical industry; reference substances-traditional Chinese medicine reference substances; organic chemical raw materials; chemical raw materials; analytical reagents-other analysis; pharmaceutical raw materials and intermediates; chemical materials; pharmaceutical, pesticide and dye intermediates; cinnamon series products; agricultural chemicals; Monomer spices; Organic intermediates; General biochemical reagents-organic acids; Plant extracts; Toluene oxidation series; Chemical products; APIs; Chemical reagents; INORGANIC & ORGANIC CHEMICALS; Carbonyl Compounds;Chemical Synthesis;Esters;Nutrition Research;Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);Vaccinium macrocarpon (Cranberry);Solvent;Chemical;120-51-4

Chemical properties

Melting point

17-20 °C (lit.)

Boiling point

323-324 °C (lit.)

Density

1.118 g/mL at 20 °C (lit.)

Vapor Pressure

1 mm Hg ( 125 °C)

Refractive index

n20/D 1.568(lit.)

FEMA 

2138 | BENZYL BENZOATE

Flash point 

298 °F

Storage conditions

2-8°C

Solubility

Miscible with ethanol, alcohol, chloroform, ether, oils.

Shape

Liquid

Color

Clear colorless

Water solubility

practically insoluble

Merck 

14,1127

JECFA Number

24

BRN 

2049280

Stability

Stable. Substances to be avoided include strong oxidizing agents. Combustible.

InChIKey

SESFRYSPDFLNCH-UHFFFAOYSA-N

LogP

4 at 20℃

CAS database

120-51-4(CAS DataBase Reference)

Benzyl benzoate is a white oily liquid in appearance, slightly viscous, and the pure product is flaky crystal; it has a faint aroma of plum and almond; it is insoluble in water and glycerin, and soluble in most organic solvents.

Use

●  It is a better fixative, diluent or solvent in essence, especially in floral fragrance. It can be used as a modifier in heavy floral and oriental fragrance types, as well as fragrance types such as tuberose, ylang-ylang, lilac, gardenia, etc. It is also a stabilizer for high-carbon aldehydes or alcohol fragrances, and a good solvent for certain solid fragrances. It is also commonly used as a fixative in food flavor formulations.

●  Benzyl benzoate can be used as a solvent for cellulose acetate, a spice fixative, a candy flavoring agent, a plastic plasticizer, and an insect repellant. When this product is used as a spice, the product specifications can refer to Shanghai Q/QBH68-79, and the ester content is above 99%. It can be used as a fixative for a variety of floral essences, and it is also the only best solvent for solid fragrances that are difficult to dissolve in essences. It can dissolve artificial musk in essences (1kg benzyl benzoate can dissolve 0.45kg sunflower musk, 0.205kg Ketone musk or 0.28kg xylene musk), also used in the preparation of whooping cough medicine, asthma medicine, etc.
In addition, benzyl benzoate is also used in textile auxiliaries, scabies cream, pesticide intermediates, etc.; in textile auxiliaries, it is mainly used as dyeing agent, leveling agent, repairing agent, etc.; in polyester and compact fiber Wide range of applications.

Production method

●  Sodium benzyl alkoxide is reacted with benzaldehyde by heating, or sodium benzoate is reacted with benzyl chloride. In the fragrance industry, ethyl benzoate and benzyl alcohol are also used for transesterification.

●  It is formed by co-thermal esterification of sodium benzoate and benzoyl chloride in the presence of triethylamine.
Under stirring and cooling conditions, dissolve sodium in benzyl alcohol, then slowly add benzaldehyde, heat on a water bath for 1 to 2 hours after the effect is complete, separate the precipitated oil layer, wash and fractionate it to obtain it.
Esterification of benzyl alcohol and benzoate.
It can be obtained by transesterification of methyl (b) benzoate with sodium carbonate as a catalyst and benzyl alcohol after fractional distillation.

●  Benzyl benzoate naturally exists in Peru balsam, tuberose, carnation and tolu balsam, etc., and is usually produced by chemical synthesis in industry.
Add 7g (0.07mol) benzyl alcohol to a 100mL round bottom flask, add 0.3g (0.013mol) sodium metal to dissolve in it within 30min, heat and dissolve it, and slowly add 45.4g (0.43mol) benzaldehyde after cooling to room temperature 250mL three-necked bottle. The mixture is exothermic due to the reaction, and is cooled with water so that the temperature does not exceed 50-60°C. After about 30 minutes, when the temperature stopped rising, the reaction was continued for 1 hour by heating in a water bath. After the reactant was cooled, use 40mI. Wash with water 2 times. The obtained oil was distilled under reduced pressure, and benzyl alcohol, unreacted benzaldehyde and a small amount of water were first distilled off, and then the fraction at 184-185°C (2kPa) was collected to obtain about 40g of the product.
2C6H5CHO→C6H5COOCH2C6H5
Benzyl alcohol and ethyl benzoate carry out transesterification in the presence of sodium carbonate, and after the reaction finishes, first normal pressure distillation removes ethanol, and then decompression distillation removes benzyl alcohol. After cooling, wash with water, separate layers, dry, and finally distill under reduced pressure to obtain the product.
C6H5COOCH2CH3+C6H5CH2OH[Na2CO3]→C6H5COOCH2C6H5+CH3CH2OH


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