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8.20560

Sigma-Aldrich

Isopropyl acetate

for synthesis

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Synonym(s):
Isopropyl acetate
Linear Formula:
CH3COOCH(CH3)2
CAS Number:
Molecular Weight:
102.13
MDL number:
EC Index Number:
203-561-1

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)

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

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This Item
PHR2109908711350104
Isopropyl acetate for synthesis

8.20560

Isopropyl acetate

Isopropyl acetate Pharmaceutical Secondary Standard; Certified Reference Material

PHR2109

Isopropyl acetate

Isopropyl acetate analytical standard

90871

Isopropyl acetate

Isopropyl acetate United States Pharmacopeia (USP) Reference Standard

1350104

Isopropyl acetate

Quality Level

200

Quality Level

300

Quality Level

100

Quality Level

-

density

0.87 g/cm3 at 20 °C

density

0.872 g/mL at 25 °C (lit.)

density

0.872 g/mL at 25 °C (lit.)

density

0.872 g/mL at 25 °C (lit.)

form

liquid

form

-

form

-

form

-

bp

88-90 °C/1013 hPa

bp

85-91 °C (lit.)

bp

85-91 °C (lit.)

bp

85-91 °C (lit.)

mp

-73 °C

mp

−73 °C (lit.)

mp

−73 °C (lit.)

mp

−73 °C (lit.)

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

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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Isopropyl 2-ethoxyacetate-an efficient acylating agent for lipase-catalyzed kinetic resolution of amines in batch and continuous-flow modes
Olah M, et al.
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Catalytic performance of Al-MCM-48 molecular sieves for isopropylation of phenol with isopropyl acetate
Venkatachalam K, et al.
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