Benzyl acetate

Benzyl acetate - Names and Identifiers

Name	Benzyl acetate
Synonyms	Benzyl acetate benzyl acetater Benzyl ethanoate 3-phenylpropanoate acetoxymethylbenzene alpha-Acetoxytoluene Benzyl Acetate 140-11-4 Acetic acid benzyl ester Benzyl Alcohol Impurity D Benzyl Alcohol Impurity 1 Benzyl ester of acetic acid Benzylester kyseliny octove
CAS	140-11-4
EINECS	205-399-7
InChI	InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

Benzyl acetate - Physico-chemical Properties

Molecular Formula	C9H10O2
Molar Mass	150.17
Density	1.054 g/mL at 25 °C (lit.)
Melting Point	-51 °C (lit.)
Boling Point	206 °C (lit.)
Flash Point	216°F
JECFA Number	23
Solubility	Almost insoluble in water, miscible with most solvents such as ethanol and ether
Vapor Presure	23 mm Hg ( 110 °C)
Vapor Density	5.1
Appearance	Transparent oily liquid
Color	Colorless liquid
Odor	sweet, floral fruity odor
Exposure Limit	ACGIH: TWA 10 ppm
Merck	14,1123
BRN	1908121
Storage Condition	-20°C
Explosive Limit	0.9-8.4%(V)
Refractive Index	n20/D 1.502(lit.)
MDL	MFCD00008712
Physical and Chemical Properties	Density: 1.055 Melting Point: -51°C Boiling Point: 206°C refractive index: 1.501-1.503 Lightning: 102°C water-soluble: <0.1g/100 mL at 23°C
Use	For the preparation of Jasmine and other flower fragrance and soap flavor

Benzyl acetate - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S24/25 - Avoid contact with skin and eyes.
UN IDs	2810
WGK Germany	1
RTECS	AF5075000
TSCA	Yes
HS Code	29153950
Toxicity	LD50 orally in rats: 2490 mg/kg (Jenner)

Benzyl acetate - Upstream Downstream Industry

Raw Materials

Benzyl alcohol
Acetic acid
Toluene
Benzyl Chloride
Chlorine

Benzyl acetate - Nature

Open Data Verified Data

colorless oily transparent liquid with jasmine fragrance. With ethanol and other organic solvents miscible, slightly soluble in water.

Last Update：2024-01-02 23:10:35

Benzyl acetate - Preparation Method

Open Data Verified Data

From benzyl alcohol and acetic anhydride reaction or by benzyl alcohol and acetic acid esterification, refined.

Last Update：2022-01-01 10:07:05

Benzyl acetate - Introduction

Benzyl acetate dissolves 0.23% (by weight) in water and is insoluble in glycerol. But it can be miscible with alcohols, ethers, ketones, fatty hydrocarbons, aromatic hydrocarbons, etc., and is almost insoluble in water. It has a special fragrance of jasmine. Heat of vaporization 401.5J/g, specific heat capacity 1.025J/(g ℃).

Last Update：2022-10-16 17:13:50

Benzyl acetate - Use

Open Data Verified Data

edible spices, can be used for the modulation of bayberry, apple, pineapple, grape, banana, strawberry and other fruit flavor, the dosage according to the normal production needs, generally in the chewing gum 760mg/kg; 34mg/kg in candy; 22mg/kg in baked food; 14mg/kg in cold drinks; Soft drinks 7. 8 mg/kg.

Last Update：2022-01-01 10:07:06

Benzyl acetate - Reference Information

FEMA	2135 \| BENZYL ACETATE
LogP	1.96 at 25℃
NIST chemical information	Information provided by: webbook.nist.gov (external link)
(IARC) carcinogen classification	3 (Vol. 40, Sup 7, 71) 1999
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
content analysis	determined by method 1 in ester content determination method (OT-18). The sample amount taken is 900mg. The equivalent factor (e) in the calculation is determined by non-polar column according to gas chromatography (GT-10-4).
toxicity	can be rapidly hydrolyzed and metabolized in animals. Adl 0~5 mg/kg(FAO/WHO,1994). LD502490 ~ 3696 mg/kg (rat, oral).
usage limit	FEMA(mg/kg): soft drink 7.8; Cold drink 14; Candy 34; Baked food 22; Pudding 23; Gum candy 760. Moderate limit (FDA § 172.515,2000).
use	used to prepare jasmine and other floral essence and soap essence GB 2760-1996 regulations are temporarily allowed edible spices. It is mainly used to prepare jasmine, peach, apricot, raspberry, strawberry, apple, grape, plum, banana, cherry, pear, pineapple, papaya, cream and other flavors. benzyl acetate is an edible spice temporarily allowed to be used in China's regulations. it can be used to prepare fruit flavor flavors such as bayberry, apple, pineapple, grape, banana, strawberry, etc. the dosage is 760 mg/kg in chewing gum according to normal production requirements. 34 mg/kg in candy; 22 mg/kg in baked food; 14 mg/kg in cold drinks; 7.8 mg/kg in soft drinks. 1. Use of spices. Benzyl acetate is the main component of jasmine and other extracts. It is an indispensable spice in the preparation of fragrance and fragrance. Because of its low price, it is mostly used for soap and other industrial flavors. It is often used in large quantities in jasmine, white orchid, hosta, yuxia incense and narcissus, and can also be used in small quantities in raw pears, apples, bananas, mulberry and other edible flavors. 2. Use of solvent benzyl acetate dissolves 0.23% (weight) in water and is insoluble in glycerol. But it can be miscible with alcohols, ethers, ketones, fatty hydrocarbons, aromatic hydrocarbons, etc. It has good dissolving ability to grease, nitrocellulose, cellulose acetate, etc., and can also dissolve rosin, triglyceride, coumarone resin, etc. Therefore, it is used as a solvent for shellac paint, alkyd resin, cellulose nitrate, cellulose acetate, dye, grease, printing ink, etc. Ester synthetic spices. Mainly used as a blend of jasmine, white orchid, hosta, yuxiaxiaxiang and other flavors. Because of the promotion effect on the fragrance of floral and fantasy flavors, and the low price, it has a wide range of applications in a variety of flavors. spices, solvents, oil, nitrocellulose and cellulose acetate, etc. have good dissolving ability, can also dissolve rosin, triglyceride and coumarone resin. Therefore, it is used as a solvent for shellac paint, alkyd resin, cellulose nitrate, cellulose acetate, dye, grease, printing ink, etc.
production method	1. benzyl alcohol and acetic acid are used as raw materials, directly esterified under sulfuric acid catalysis to generate benzyl acetate, and then neutralized, washed and fractionated to obtain the finished product. 2. Benzyl chloride and sodium acetate are used as raw materials to react in the presence of catalyst pyridine and dimethylaniline to form benzyl acetate. The finished product is washed and distilled. benzyl acetate naturally exists in ylang oil, neroli oil, hyacinth oil, tuberose oil and gardenia oil. the industrial production is generally prepared by the following methods. Under the catalysis of sulfuric acid, benzyl alcohol and glacial acetic acid are mixed and heated for esterification. After the reaction is over, it is first neutralized with alkali, and then washed with water until neutral. After drying with anhydrous calcium chloride, the product is distilled under reduced pressure. A small amount of boric acid is added before distillation to make the excess benzyl alcohol and its action to form a high boiling point benzyl borate to stay in the distillation kettle. CH3COOH + C6H5CH2OH[H2SO4]→ CH3CHOOCH2C6H5 + H2O is prepared by reacting benzyl chloride with sodium acetate, and the chlorine in the product must be eliminated. The yield of this method can reach 80%. CH3COONa + C6H5CH2ClCH3COOCH2C6H5 + NaCl successively add 1kg of benzyl alcohol and 2kg of anhydrous sodium acetate to 1.2kg of acetic anhydride, slowly heat to 100 ℃, add 40g of anhydrous sodium acetate after the reaction is mild, and then reflow for 8h. After cooling, wash with water, neutralize with 10% NaOH solution, wash with water to neutral, and finally dry with anhydrous calcium chloride, and distill the product under reduced pressure. (CH3CO)2 + C6H5CH2OH[NaAc]→ C3H7COOCH2C6H5 + CH3COOH is made by heating and esterification of benzyl chloride and sodium acetate under pyridine catalysis, and then purified by distillation. It is made by esterification of benzyl alcohol with acetic anhydride or acetic acid and purified by distillation.
category	flammable liquid
toxicity classification	poisoning
acute toxicity	oral-rat LD50: 2490 mg/kg; Oral-mouse LD50: 830 mg/kg
stimulation data	skin-rabbit 100 mg/24 hours moderate
flammability hazard characteristics	it is more flammable in case of open flame, high temperature and strong oxidant. Combustion produces stimulating smoke; Drugs affect human respiration and urinary system
storage and transportation characteristics	complete packaging, light loading and unloading; warehouse ventilation, away from open flames, high temperature, separate storage from oxidant
fire extinguishing agent	foam, carbon dioxide
occupational standard	STEL 5 mg/m3
auto-ignition temperature	862 °F
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)