Catalog Number
ACMA00016844
Product Name
Benzyl Acetate
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.
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)
Color/Form
WATER-WHITE LIQUID
Covalently-Bonded Unit Count
1
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
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
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
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