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Key Documents

112992

Sigma-Aldrich

Isopropyl acetate

greener alternative

98%

Synonym(s):

Acetic acid isopropyl ester

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About This Item

Linear Formula:
CH3COOCH(CH3)2
CAS Number:
Molecular Weight:
102.13
Beilstein/REAXYS Number:
1740761
EC Number:
MDL number:
UNSPSC Code:
12352108
PubChem Substance ID:
NACRES:
NA.21

vapor density

3.5 (vs air)

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.

sustainability

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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

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

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

supp_hazards

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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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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