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Merck
CN

8.20560

Isopropyl acetate

greener alternative

for synthesis

Synonym(s):

Isopropyl acetate

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About This Item

Linear Formula:
CH3COOCH(CH3)2
CAS Number:
Molecular Weight:
102.13
UNSPSC Code:
12352108
EC Index Number:
203-561-1
NACRES:
NA.22
MDL number:
Assay:
≥99% (GC)
Form:
liquid
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vapor pressure

61 hPa ( 20 °C)

Quality Level

assay

≥99% (GC)

form

liquid

autoignition temp.

460 °C

potency

6750 mg/kg LD50, oral (Rat), >20000 mg/kg LD50, skin (Rabbit)

expl. lim.

1.8-8 % (v/v)

greener alternative product characteristics

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

sustainability

Greener Alternative Product

bp

88-90 °C/1013 hPa

mp

-73 °C

transition temp

flash point 4 °C

density

0.87 g/cm3 at 20 °C

greener alternative category

storage temp.

2-30°C

SMILES string

O(C(C)C)C(=O)C

InChI

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

InChI key

JMMWKPVZQRWMSS-UHFFFAOYSA-N

General description

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 can be used as an:
  • Acyl donor in stereoselective biotransformations of chiral amines.
  • Alkylating agent for the isopropylation of phenols due to its easy chemisorption on the Bronsted acid sites to form alkyl cations and the release of acetic acid in the reaction that can stabilize the charged structure of phenol.

Analysis Note

Assay (GC, area%): ≥ 99 %
Density (d 20 °C/ 4 °C): 0.871 - 0.873
Identity (IR): passes test


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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

This item has



Certificates of Analysis (COA)

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Isopropyl 2-ethoxyacetate-an efficient acylating agent for lipase-catalyzed kinetic resolution of amines in batch and continuous-flow modes
Olah M, et al.
Tetrahedron, 72, 7249-7255 (2016)



Global Trade Item Number

SKUGTIN
820560100004022536461458
820560010004022536461441
820560250004022536461465
820560917004027269332501
820560917504022536704050