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8.20560

Sigma-Aldrich

Isopropyl acetate

for synthesis

Synonym(s):

Isopropyl acetate

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About This Item

Linear Formula:
CH3COOCH(CH3)2
CAS Number:
108-21-4
Molecular Weight:
102.13
MDL number:
MFCD00008877
UNSPSC Code:
12352108
EC Index Number:
203-561-1
NACRES:
NA.22

vapor pressure

61 hPa ( 20 °C)

Quality Level

200

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)

bp

88-90 °C/1013 hPa

mp

-73 °C

transition temp

flash point 4 °C

density

0.87 g/cm3 at 20 °C

storage temp.

2-30°C

InChI

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

InChI key

JMMWKPVZQRWMSS-UHFFFAOYSA-N

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

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_germany

WGK 1

flash_point_f

41.0 °F

flash_point_c

5 °C

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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