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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)
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vapor density

3.5 (vs air)

vapor pressure

47 mmHg ( 20 °C)

assay

≥99.6%

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

Greener Alternative Product

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

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

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.

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

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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
MKCQ6513
MKCQ4616
MKCM7772
MKCM7773
MKCL5025

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A theoretical study of the pyrolysis of isopropyl acetate.
Silva AM.
Chemical Physics Letters, 439(1), 8-13 (2007)
Heats of combustion and formation of ethyl acetate and isopropyl acetate.
Butwill ME and Rockenfeller JD.
Thermochimica Acta, 1(3), 289-295 (1970)
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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Global Trade Item Number

SKUGTIN
M-020-1ML04061833976173
537462-100L04054839912054
537462-1L04061837224782
537462-4L04061837224805
537462-18L-CS04061837714900
537462-2.5L04061837224799
537462-200L04061838152534
537462-200L-P2-LS04061838152541
537462-4X4L04061832565682
537462-56L-P1-LS04061838152558