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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:
Molecular Weight:
102.13
Beilstein/REAXYS Number:
1740761
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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.

Recommended products

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

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

flash_point_c

5 °C


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The Utility of Headspace Grade Solvents for the Analysis of Organic Volatile Impurities

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