Merck
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537462

Sigma-Aldrich

Isopropyl acetate

≥99.6%

Synonym(s):
IPrOAc, Acetic acid isopropyl ester
Linear Formula:
CH3COOCH(CH3)2
CAS Number:
Molecular Weight:
102.13
Beilstein:
1740761
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

vapor density

3.5 (vs air)

vapor pressure

47 mmHg ( 20 °C)

assay

≥99.6%

form

liquid

autoignition temp.

894 °F

expl. lim.

1.8 %, 37 °F
8 %

impurities

≤0.005% Acetic acid
≤0.1% Water
≤0.2% 2-Propanol

refractive index

n20/D 1.377 (lit.)

bp

85-91 °C (lit.)

mp

−73 °C (lit.)

solubility

water: soluble 31.9 g/L at 20 °C

density

0.872 g/mL at 25 °C (lit.)

SMILES string

CC(C)OC(C)=O

InChI

1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3

InChI key

JMMWKPVZQRWMSS-UHFFFAOYSA-N

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Application

Isopropyl acetate may be employed as a model oxygenate compound to evaluate the catalytic efficiency of La0.8Sr0.2MnO3+x perovskite catalyst for the oxidation of various oxy-derivative compounds. It may be used as an extracting reagent for the N,N-dimethyl-2-[5-(cyanomethyl)-1H-indol-3-yl]ethylamine.

Packaging

1, 2.5, 4, 4×4 L in glass bottle
200 L in Pure-Pac™ 2
56 L in Pure-Pac™ 1
200 L in steel drum
18 L in steel drum

Other Notes

Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.

Legal Information

Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

Supplementary Hazards

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

41.0 °F

Flash Point(C)

5 °C

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Heats of combustion and formation of ethyl acetate and isopropyl acetate.
Butwill ME and Rockenfeller JD.
Thermochimica Acta, 1(3), 289-295 (1970)
A theoretical study of the pyrolysis of isopropyl acetate.
Silva AM.
Chemical Physics Letters, 439(1), 8-13 (2007)
Madan Lal Verma et al.
Enzyme research, 2011, 919386-919386 (2011-05-24)
Selective production of fragrance fatty acid ester from isopropanol and acetic acid has been achieved using silica-immobilized lipase of Bacillus cereus MTCC 8372. A purified thermoalkalophilic extracellular lipase was immobilized by adsorption onto the silica. The effects of various parameters
Vapor-liquid equilibria of carbon dioxide with isopropyl acetate, diethyl carbonate and ethyl butyrate at elevated pressures.
Cheng CH and Chen YP.
Fluid Phase Equilibria, 234(1), 77-83 (2005)
General study of catalytic oxidation of various VOCs over La0.8Sr0.2MnO3+x perovskite catalyst-influence of mixture.
Blasin-Aube V, et al.
Applied Catalysis. B, Environmental, 43(2), 175-186 (2003)

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