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537462 Sigma-Aldrich

Isopropyl acetate

≥99.6%

Synonym: Acetic acid isopropyl ester, IPrOAc

  • CAS Number 108-21-4

  • Linear Formula CH3COOCH(CH3)2

  • Molecular Weight 102.13

  •  Beilstein/REAXYS Number 1740761

  •  EC Number 203-561-1

  •  MDL number MFCD00008877

  •  PubChem Substance ID 329757981

  •  NACRES NA.21

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Properties

Related Categories ReagentPlus, ReagentPlus Solvent Grade Products, ReagentPlus and EMPLURA, ACS and Reagent Grade Solvents, Amber Glass Bottles,
Quality Level   200
vapor density   3.5 (vs air)
vapor pressure   47 mmHg ( 20 °C)
assay   ≥99.6%
form   liquid
autoignition temp.   894 °F
expl. lim.   1.8 %, 37 °F
  8 %
impurities   ≤0.005% Acetic acid
  ≤0.1% Water
  ≤0.2% 2-Propanol
refractive index   n20/D 1.377 (lit.)
bp   85-91 °C (lit.)
mp   −73 °C (lit.)
solubility   water: soluble 31.9 g/L at 20 °C
density   0.872 g/mL at 25 °C (lit.)
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

Description

Application

Isopropyl acetate may be employed as a 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 an extracting reagent for the N,N-dimethyl-2-[5-(cyanomethyl)-1H-indol-3-yl]ethylamine.

Packaging

1, 2.5, 4, 4×4 L in glass bottle

18 L in steel drum

200 L in Pure-Pac™ 2

56 L in Pure-Pac™ 1

200 L in steel drum

Other Notes

Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.

Legal Information

Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
Target organs 
Central nervous system
Supplemental Hazard Statements 
EUH066
RIDADR 
UN1220 - class 3 - PG 2 - Isopropyl acetate
WGK Germany 
WGK 1
RTECS 
AI4930000
Flash Point(F) 
39.2 °F - closed cup
Flash Point(C) 
4 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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