Benzyl Acetate - Materials / Alfa Chemistry

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Benzyl Acetate

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Catalog Number

ACMA00016844

Product Name

Benzyl Acetate

Category

Polymers

Description

Benzyl acetate is a colorless liquid with an odor of pears. (USCG, 1999);Liquid;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless liquid with a sweet, fruity, floral (Jasmine) odour;Colorless liquid with an odor of pears.

IUPAC Name

benzyl acetate

Molecular Weight

150.17g/mol

Molecular Formula

C9H10O2;CH3COOCH2C6H5;CH3COOCH2C6H5;C9H10O2

Canonical SMILES

CC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI Key

QUKGYYKBILRGFE-UHFFFAOYSA-N

Boiling Point

419.9 °F at 760 mm Hg (NTP, 1992);213.0 °C;213 °C;212 °C;419.9°F

Melting Point

-60.7 °F (NTP, 1992);-51.3 °C;-51.3 °C;-51 °C;-51.3°C;-51 °C;-60.7°F

Flash Point

195 °F (NFPA, 2010);90 °C (closed cup);90 °C c.c.;195°F

Density

1.04 (USCG, 1999);d2525 1.05;1.050 @ 25 °C/4 °C;Relative density (water = 1): 1.1;1.049-1.059;1.04

Solubility

less than 1 mg/mL at 73° F (NTP, 1992);0.02 M;3.1 mg/mL at 25 °C;PRACTICALLY INSOL IN WATER; MISCIBLE WITH ALCOHOL, ETHER;SOL IN BENZENE, CHLOROFORM;Miscible in ethanol, soluble in ethyl ether and acetone.;In water, 3.1 g/l.;3.1 mg/mL at 25 °C;Solubility in water at 20 °C: none;very slightly soluble in water, glycerol; soluble in organic solvents, oils;miscible at room temperature (in ethanol)

Application

Benzyl acetate is primarily utilized for its pleasant fruity aroma, serving as a key component in perfumes and a wide range of fragrance products like soaps, detergents, and incense. Its application extends to the food industry, where it acts as a flavoring agent in fruit-flavored products. Additionally, benzyl acetate functions as a high-boiling point solvent, making it suitable for use in coatings such as ink, binding agents, and paint removers. As an acetate ester of benzyl alcohol, it plays a role as a metabolite, and it is also valued for its ability to enhance floral and fantasy scents in various essences. It is important to handle benzyl acetate with care, avoiding heat and ignition sources due to its potential to form explosive mixtures at elevated temperatures.

Color/Form

WATER-WHITE LIQUID

Complexity

126

Covalently-Bonded Unit Count

EC Number

205-399-7

Exact Mass

150.06808g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1331

Log P

1.96 (LogP);1.96;log Kow = 1.96;1.96;1.96

MeSH Entry Terms

(14C)benzyl acetate;acetic acid benzyl ester;benzyl (1-14C)acetate;benzyl (2-14C)acetate;benzyl acetate

Monoisotopic Mass

150.06808g/mol

NSC Number

4550

Odor

PEAR-LIKE ODOR;CHARACTERISTIC FLOWERY (JASMINE) ODOR;Powerful but thin, sweet floral fresh, fresh and light, fruity odor reminiscent of Jasmin, Gardenia, Muguet, Lily and other flowers.

Other Experimental

Bp: 134 °C at 102 mm Hg;VAPOR PRESURE = 1.0 MM HG @ 45 °C

Refractive Index

n25D 1.4994;INDICES OF REFRACTION: 1.5232 @ 20 °C/D; 1.4998 @ 25 °C/D;1.500-1.504

Rotatable Bond Count

RTECS Number

AF5075000

UNII

0ECG3V79ZJ

UN Number

1993

Vapor Density

5.1 (NTP, 1992) (Relative to Air);5.1 (AIR= 1);Relative vapor density (air = 1): 5.1;5.1

Vapor Pressure

1 mm Hg at 113 °F ; 10 mm Hg at 189.7° F (NTP, 1992);0.18 mmHg;0.177 mm Hg at 25 °C /from experimentally-derived coefficients/;Vapor pressure, Pa at 25 °C: 190;1 mmHg at 113°F

XLogP3

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