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Sigma-Aldrich

Isopropyl acetate

greener alternative

98%

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Synonym(s):
Acetic acid isopropyl ester
Linear Formula:
CH3COOCH(CH3)2
CAS Number:
108-21-4
Molecular Weight:
102.13
Beilstein:
1740761
EC Number:
203-561-1
MDL number:
MFCD00008877
PubChem Substance ID:
329749351
NACRES:
NA.21

vapor density

3.5 (vs air)

Quality Level

100

vapor pressure

47 mmHg ( 20 °C)

Assay

98%

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.

refractive index

n20/D 1.377 (lit.)

bp

85-91 °C (lit.)

mp

−73 °C (lit.)

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

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General description

Isopropyl acetate is an isopropyl ester of acetic acid. It participates in the mesoporous Al-MCM-41 (Si/Al = 55 and 104) and Al, Zn-MCM-41 (Si/(Al+Zn) = 52) molecular sieves catalyzed alkylation of m-cresol. It is widely used for the incorporation of aroma to various cosmetics and food products. Vapor-liquid equilibria for its binary mixture with CO2 at higher pressures has been evaluated.
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Application

Isopropyl acetate may be employed as 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 extracting reagent for the N,N-dimethyl-2-[5-(cyanomethyl)-1H-indol-3-yl]ethylamine.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225 - H319 - H336

Hazard Classifications

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

Target Organs

Central nervous system

Supplementary Hazards

EUH066

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

41.0 °F

Flash Point(C)

5 °C

Regulatory Information

危险化学品

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Christoph Wiedmer et al.
Analytical and bioanalytical chemistry, 409(16), 3905-3916 (2017-04-13)
Based on the observation of intense and offensive smells in the product group of aquatic toys, four representative products were exemplarily chosen and sensorially characterized by an expert panel. Panellists reported mostly almond- and rubber-like notes for three of the
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)
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)
A novel route to produce thymol by vapor phase reaction of m-cresol with isopropyl acetate over Al-MCM-41 molecular sieves.
Shanmugapriya K, et al.
J. Catal., 224(2), 347-357 (2004)
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