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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
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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 %

greener alternative product characteristics

Safer Solvents and Auxiliaries
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

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

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. 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.

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.

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.

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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
BCCG9834
BCCG5851
BCCF9526
BCCD0755
BCCB8150

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Global Trade Item Number

SKUGTIN
90871-1ML-F04061836962753
90871-5ML-F04061837242625
90871-10ML-F04061833252802