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Merck
CN

112992

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
UNSPSC Code:
12352108
NACRES:
NA.21
PubChem Substance ID:
EC Number:
203-561-1
Beilstein/REAXYS Number:
1740761
MDL number:
Assay:
98%
Bp:
85-91 °C (lit.)
Vapor pressure:
47 mmHg ( 20 °C)
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vapor density

3.5 (vs air)

Quality Level

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
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sustainability

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dilution

(for analytical testing)

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

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.


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signalword

Danger

pictograms

FlameExclamation mark

Hazard Classifications

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

target_organs

Central nervous system

supp_hazards

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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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
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)
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)



Global Trade Item Number

SKUGTIN
42358-5G04061832853666
112992-2.5L04061838700674
112992-4X2.5L04061837223822
112992-18L04061837713019
112992-1L04061838700667