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Merck
CN

45960

Isopropyl acetate

greener alternative

puriss. p.a., ≥99.5% (GC)

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.01
PubChem Substance ID:
EC Number:
203-561-1
Beilstein/REAXYS Number:
1740761
MDL number:
Assay:
≥99.5% (GC)
Technique(s):
GC/GC: suitable
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)

grade

puriss. p.a.

assay

≥99.5% (GC)

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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technique(s)

GC/GC: suitable

impurities

≤0.005% free acetic acid, ≤0.05% water

evapn. residue

≤0.002%

refractive index

n20/D 1.377

bp

85-91 °C (lit.)

mp

−73 °C (lit.)

density

0.872 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg, Ba: ≤0.1 mg/kg, Bi: ≤0.1 mg/kg, Ca: ≤0.5 mg/kg, Cd: ≤0.05 mg/kg, Co: ≤0.02 mg/kg, Cr: ≤0.02 mg/kg, Cu: ≤0.02 mg/kg, Fe: ≤0.1 mg/kg, K: ≤0.5 mg/kg, Li: ≤0.1 mg/kg, Mg: ≤0.1 mg/kg, Mn: ≤0.02 mg/kg, Mo: ≤0.1 mg/kg, Na: ≤0.5 mg/kg, Ni: ≤0.02 mg/kg, Pb: ≤0.1 mg/kg, Sr: ≤0.1 mg/kg, Zn: ≤0.1 mg/kg

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 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 extracting reagent for the N,N-dimethyl-2-[5-(cyanomethyl)-1H-indol-3-yl]ethylamine.


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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

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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Articles

Analysis of carbonate solvents in lithium-ion batteries like ethylene carbonate, dimethyl carbonate, diethyl carbonate, and more using SPB®-624 column.


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)
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)



Global Trade Item Number

SKUGTIN
45960-1L-F04061832343204
45960-250ML-F04061832343211