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Merck
CN

90871

Isopropyl acetate

greener alternative

analytical standard

Synonym(s):

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:
85151701
NACRES:
NA.24
PubChem Substance ID:
329769958
EC Number:
203-561-1
Beilstein/REAXYS Number:
1740761
MDL number:
MFCD00008877

Key Documents

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Product Name

Isopropyl acetate, analytical standard

InChI key

JMMWKPVZQRWMSS-UHFFFAOYSA-N

InChI

1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3

SMILES string

CC(C)OC(C)=O

grade

analytical standard

vapor density

3.5 (vs air)

vapor pressure

47 mmHg ( 20 °C)

assay

≥99.8% (GC)

autoignition temp.

894 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

1.8 %, 37 °F
8 %

greener alternative product characteristics

Safer Solvents and Auxiliaries
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sustainability

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technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.377 (lit.)
n20/D 1.377

bp

85-91 °C (lit.)

mp

−73 °C (lit.)

density

0.872 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

greener alternative category

Aligned

Quality Level

100

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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.
Isopropyl acetate may be used as an analytical standard for the determination of the analyte in water samples and organic solvent mixtures by various gas chromatography (GC) techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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. It is a colorless, flammable liquid, having a pleasant fruity type of odor.
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.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

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
BCCM9814
BCCM8806
BCCM0907
BCCM4681
BCCM3443

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Cheremisinoff.PN et al.
Industrial Solvents Handbook, Revised And Expanded, (2) (2003)
Patnaik P et al.
A Comprehensive Guide to the Hazardous Properties of Chemical Substances (2007)
Pohanish.PR et al.
HazMat Data: For First Response, Transportation, Storage, and Security, (2) (2005)
Detection of trace constituents by gas chromatography. Analysis of polluted atmosphere
Farrington PS, et al.
Analytical Chemistry, 31(9), 1512-1516 (1959)
Gas chromatographic analysis of organic solvent mixtures on capillary columns of different polarity
Rastogi SC
Chromatographia, 37(3-4), 211-214 (1993)
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