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537438

Sigma-Aldrich

Propyl acetate

≥99.5%

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Linear Formula:
CH3COOCH2CH2CH3
CAS Number:
109-60-4
Molecular Weight:
102.13
Beilstein:
1740764
EC Number:
203-686-1
MDL number:
MFCD00009372
UNSPSC Code:
12352108
eCl@ss:
39022103
PubChem Substance ID:
329757979
NACRES:
NA.21

vapor density

3.5 (vs air)

Quality Level

200

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

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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.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H336

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

Supplementary Hazards

EUH066

WGK

WGK 1

Flash Point(F)

53.2 °F

Flash Point(C)

11.8 °C

Regulatory Information

危险化学品

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Liquid-liquid equilibria for the ternary system water+ acetic acid+ propyl acetate.
Xiao X, et al.
Journal of Chemical and Engineering Data, 51(2), 582-583 (2006)
A Sunesson et al.
Applied and environmental microbiology, 61(8), 2911-2918 (1995-08-01)
Five fungal species, Aspergillus versicolor, Penicillium commune, Cladosporium cladosporioides, Paecilomyces variotii, and Phialophora fastigiata, were cultivated on two media, malt extract agar and dichloran glycerol agar. Culture flasks provided with inlet and outlet tubes were used and purified, and humidified
Rate constants for the reaction of OH radicals with n-propyl acetate, sec-butyl acetate, tetrahydrofuran and peroxyacetyl nitrate.
Winer AM, et al.
Chemical Physics, 51(2), 221-226 (1977)
High polymer solutions. Part 7.-Vapour pressure of polystyrene solutions in acetone, chloroform and propyl acetate.
Bawn CEH and Wajid MA.
Transactions of the Faraday Society, 52, 1658-1664 (1956)
Geranyl acetate synthesis by lipase-catalyzed transesterification in supercritical carbon dioxide.
Geranyl acetate synthesis by lipase-catalyzed transesterification in supercritical carbon dioxide.
Chulalaksananukul W, et al.
Enzyme and Microbial Technology, 15(8), 691-698 (1993)
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