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Benzyl acetate

CAS No.140-11-4
Chemical Name:Benzyl acetate
CBNumber:CB8345095
Molecular Formula:C9H10O2
Formula Weight:150.17
MOL File:140-11-4.mol

Benzyl acetate Property

Melting point -51 °C (lit.)
Boiling point 206 °C (lit.)
Density 1.054 g/mL at 25 °C (lit.)
vapor density 5.1
vapor pressure 23 mm Hg ( 110 °C)
refractive index n20/D 1.502(lit.)
FEMA 2135 | BENZYL ACETATE
Flash point 216 °F
storage temp. -20°C
solubility ≥35.7 mg/mL in EtOH; ≥49.4 mg/mL in DMSO
form Liquid
color Colorless liquid
Odor sweet, floral fruity odor
explosive limit 0.9-8.4%(V)
Odor Type floral
biological source synthetic
Water Solubility <0.1 g/100 mL at 23 ºC
Merck 14,1123
JECFA Number 23
BRN 1908121
Exposure limits ACGIH: TWA 10 ppm
Dielectric constant 5.1（21℃）
LogP 1.96 at 25℃
Surface tension 37.3mN/m at 293.15K
Substances Added to Food (formerly EAFUS) BENZYL ACETATE
FDA 21 CFR 172.515
CAS DataBase Reference 140-11-4(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 0ECG3V79ZJ
IARC 3 (Vol. 40, Sup 7, 71) 1999
NIST Chemistry Reference Benzyl ethanoate(140-11-4)
EPA Substance Registry System Benzyl acetate (140-11-4)
UNSPSC Code 41116107
NACRES NA.24

Safety

Hazard Codes :Xi
Risk Statements :36/37/38
Safety Statements :26-37/39-24/25
RIDADR :2810
WGK Germany :1
RTECS :AF5075000
Autoignition Temperature :862 °F
TSCA :Yes
HS Code :29153950
Hazardous Substances Data :140-11-4(Hazardous Substances Data)
Toxicity :LD50 orally in rats: 2490 mg/kg (Jenner)

NFPA 704:

	2
1		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H412
Precautionary statements P273-P501

Benzyl acetate Price More Price(16)

Brand: Sigma-Aldrich(India)
Product number: W213519
Product name : Benzyl acetate
Purity: natural, ≥99%, FCC, FG
Packaging: 1SAMPLE-K
Price: ₹5347.55
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W213519
Product name : Benzyl acetate
Purity: natural, ≥99%, FCC, FG
Packaging: 100G
Price: ₹16389.05
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W213519
Product name : Benzyl acetate
Purity: natural, ≥99%, FCC, FG
Packaging: 1KG
Price: ₹54038.4
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W213519
Product name : Benzyl acetate
Purity: natural, ≥99%, FCC, FG
Packaging: 5KG
Price: ₹210091.6
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W213500
Product name : Benzyl acetate
Purity: ≥99%, FCC, FG
Packaging: 1SAMPLE-K
Price: ₹5141.88
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Benzyl acetate Chemical Properties,Usage,Production

Physical properties Benzyl acetate has a characteristic flowery (jasmine) odor and a bitter, pungent taste. It is the main component of jasmine absolute and gardenia oils. It occurs as a minor component in a large number of other essential oils and extracts. It is a colorless liquid with a strong, fruity, jasmine odor. In terms of volume, benzyl acetate is one of the most important fragrance and flavor chemicals. Although benzyl acetate is present in some essential oils at levels up to 65%, most of the commercial product is of synthetic origin.
Chemical Properties Benzyl acetate is a colorless liquid with a fruity odor. On burning and decomposition, it produces irritating fumes. Benzyl acetate reacts with strong oxidants causing fire and explosion hazard.

Benzyl acetate is stable under normal conditions of use. Heating to decomposition may release carbon monoxide, carbon dioxide and other potentially toxic fumes and gases. Vapors may form explosive mixtures with air at elevated temperatures (> 90°C / 194°F). Avoid heat, open flames and other potential sources of ignition.
It has been used as a food additive in fruit flavours and as a component of perfumes since the early 1990s and is widely used as a fragrance in soaps, detergents and incense. There is widespread human exposure to benzyl acetate by ingestion, skin application and inhalation.
Occurrence Present as a main constituent in several oils and flower absolutes: ylang-ylang, cananga, neroli, jasmine, hyacinth, gardenia, tuberose. It has been isolated from the essential oil of the flowers of Loiseleuria procumbens Desv. (azelea). Also reported found in apricot, cooked asparagus, mozzarella cheese, grilled beef, cooked pork, malt whiskey, fresh mango, malt, wort and clams.
Uses Benzyl acetate is used as an artificial jasmine and other perfumes, soap perfume, flavoring agent, solvent for cellulose acetate and nitrate, natural and synthetic resins, oils, lacquers, polishes, printing inks, and varnish removers.
Uses Benzyl acetate is produced by reacting benzyl chloride with an alkali acetate or by esterifying benzyl alcohol with acetic anhydride. It is also formed in the oxidation of toluene in the presence of acetic acid or acetic anhydride. Benzyl acetate is one of the most used odorants. It is also used as a flavor and, to a small extent, as a high-boiling solvent.
Application Benzyl acetate can be used as a high boiling point solvent in coatings, like ink coating, binding agent and paint remover. It is used in soap and other chemical essences and has the effect of promote in floral and fantasy essences in jasmine, white orchid, fragrant plantain lily, gekkakou, narcissus and other essences. It is a plasticizer for ionophore membranes.
Definition ChEBI: Benzyl acetate is the acetate ester of benzyl alcohol. It has a role as a metabolite. It is an acetate ester and a benzyl ester.
Preparation Benzyl acetate is produced by the interaction of benzyl chloride and sodiumacetate, by acetylation of benzyl alcohol, or from benzaldehyde and acetic acid with zinc dust.
Aroma threshold values Detection: 2 to 270 ppb
Taste threshold values Taste characteristics at 40 ppm: sweet and fruity
Synthesis Reference(s) Chemical and Pharmaceutical Bulletin, 35, p. 1608, 1987 DOI: 10.1248/cpb.35.1608
The Journal of Organic Chemistry, 31, p. 2033, 1966 DOI: 10.1021/jo01344a544
Synthetic Communications, 24, p. 1045, 1994 DOI: 10.1080/00397919408020781
General Description Colorless liquid with an odor of pears.
Air & Water Reactions Insoluble in water.
Reactivity Profile Benzyl acetate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Benzyl acetate is incompatible with strong oxidizing agents. Benzyl acetate is also incompatible with acids, bases and reducing agents.
Health Hazard Exposures to benzyl acetate cause adverse health effects. The symptoms of toxicity and poisoning include irritation to the skin, eyes, burning sensation, confusion, dizziness, drowsiness, labored breathing, sore throat, nausea, vomiting, and diarrhea. Benzyl acetate also causes adverse health effects to the respiratory tract and the CNS system with neurological effects.
Fire Hazard Benzyl acetate is combustible.
Flammability and Explosibility Non flammable
Safety Profile A poison by inhalation.Moderately toxic by ingestion and subcutaneous routes.Human systemic effects by inhalation: an antipsychotic,unspecified respiratory and urinary system effects.Questionable carcinogen with experimental tumorigenicdata. Combusti
Carcinogenicity Not listed by ACGIH, IARC, NTP, or California Proposition 65.
Metabolism The esters of benzyl alcohol, such as the acetate, benzoate, cinnamate and hydrocinnamate, are rapidly hydrolysed in vivo to benzyl alcohol which is then oxidized to benzoic acid and excreted as hippuric acid
storage Benzyl acetate should be kept stored in a cool, dry place with the container closed when not in use.
Purification Methods Purify the acetate by fractional distillation, preferably in a good vacuum. Values of n25 of 1.5232-1.5242 are too high and should be nearer to 1.4994. [Merker & Scott J Org Chem 26 5180 1961, Beilstein 6 IV 2262.]
Precautions Exposures to benzyl acetate far above the OEL may result in unconsciousness. After handling and using benzyl acetate, workers should wash thoroughly and remove contaminated clothing, washing it before reuse. Workers should avoid any kind of contact of benzyl acetate with the eyes, skin, ingestion, and inhalation. Workers should wear safety glasses and chemical goggles to avoid splashing of the chemical substance during work, and wear appropriate protective gloves and clothing to prevent skin exposure