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Merck
CN

537462

Isopropyl acetate

greener alternative

≥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
UNSPSC Code:
12352108
NACRES:
NA.21
PubChem Substance ID:
329757981
EC Number:
203-561-1
Beilstein/REAXYS Number:
1740761
MDL number:
MFCD00008877
Assay:
≥99.6%
Bp:
85-91 °C (lit.)
Vapor pressure:
47 mmHg ( 20 °C)

Key Documents

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Product Name

Isopropyl acetate, ≥99.6%

InChI key

JMMWKPVZQRWMSS-UHFFFAOYSA-N

InChI

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

SMILES string

CC(C)OC(C)=O

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 %

greener alternative product characteristics

Safer Solvents and Auxiliaries
Learn more about the Principles of Green Chemistry.

sustainability

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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.)

greener alternative category

Aligned

Quality Level

200

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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.

General description

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Green Chemistry. This product is aligned with "Safer Solvents and Auxiliaries". Click here for more information.

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

WGK 1

flash_point_f

41.0 °F - closed cup

flash_point_c

5 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ3267
MKCZ2715
MKCZ2713
MKCX7179
MKCX5279

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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)
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)
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)
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