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Isopropyl acetate

analytical standard

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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
UNSPSC Code:
85151701
PubChem Substance ID:
329769958
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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 %

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

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

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.

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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

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

WGK

WGK 1

Regulatory Information

危险化学品

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