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537462

Sigma-Aldrich

Isopropyl acetate

≥99.6%

Synonym(s):

IPrOAc, Acetic acid isopropyl ester

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About This Item

Linear Formula:
CH3COOCH(CH3)2
CAS Number:
108-21-4
Molecular Weight:
102.13
Beilstein/REAXYS Number:
1740761
EC Number:
203-561-1
MDL number:
MFCD00008877
UNSPSC Code:
12352108
PubChem Substance ID:
329757981
NACRES:
NA.21

vapor density

3.5 (vs air)

Quality Level

200

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.

Other Notes

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

Legal Information

Pure-Pac is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

41.0 °F - closed cup

flash_point_c

5 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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)
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
Improved Fischer indole reaction for the preparation of N,N-dimethyltryptamines: Synthesis of L-695,894, a potent 5-HT1D receptor agonist.
Chen CY, et al.
The Journal of Organic Chemistry, 59(13), 3738-3741 (1994)
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