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)

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

MSDS

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COA

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Spec Sheet

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