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537438 Sigma-Aldrich

Propyl acetate

≥99.5%

  • CAS Number 109-60-4

  • Linear Formula CH3COOCH2CH2CH3

  • Molecular Weight 102.13

  •  Beilstein/REAXYS Number 1740764

  •  EC Number 203-686-1

  •  MDL number MFCD00009372

  •  eCl@ss 39022103

  •  PubChem Substance ID 329757979

  •  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   25 mmHg ( 20 °C)
assay   ≥99.5%
form   liquid
autoignition temp.   842 °F
expl. lim.   1.7 %, 37 °F
  8 %
impurities   ≤0.01% Acetic acid (free acid)
  ≤0.1% Water
evapn. residue   ≤0.01%
color   APHA: ≤15
refractive index   n20/D 1.384 (lit.)
bp   102 °C (lit.)
mp   −95 °C (lit.)
density   0.888 g/mL at 25 °C (lit.)
SMILES string   CCCOC(C)=O
InChI   1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
InChI key   YKYONYBAUNKHLG-UHFFFAOYSA-N

Description

General description

Propyl acetate (n-propyl acetate) is the propyl ester of acetic acid. The absolute rate constant for the reaction of n-propyl acetate with OH radicals has been reported to be (k × 10-9lmole-1s-1) = 2.6 ± 0.5lmole-1s-1. Liquid-liquid equilibrium of the ternary system composed of water, acetic acid and propyl acetate has been investigated at various temperatures (298.15, 313.15 and 363.15K). Experimental values were found to be in close agreement with that of UNIQUAC (UNIversal QUAsiChemical) model. It has been identified as one of the volatile ester produced from Penicillium commune.

Application

Propyl acetate may be employed as a solvent for the evaluation of vapor pressure of the polymeric solution of polystyrene. It may be used in the preparation of geranyl acetate.

Packaging

1, 2.5 L in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
Target organs 
Central nervous system
Supplemental Hazard Statements 
EUH066
RIDADR 
UN1276 - class 3 - PG 2 - n-Propyl acetate
WGK Germany 
WGK 1
RTECS 
AJ3675000
Flash Point(F) 
57.2 °F - closed cup
Flash Point(C) 
14 °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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