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V900252

Sigma-Aldrich

Propylene carbonate

Vetec, reagent grade, 98%

Synonym(s):

1,2-Propanediol cyclic carbonate, 4-Methyl-1,3-dioxolan-2-one

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About This Item

Empirical Formula (Hill Notation):
C4H6O3
CAS Number:
Molecular Weight:
102.09
Beilstein:
107913
EC Number:
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
grade:
reagent grade
bp:
240 °C (lit.)
vapor pressure:
0.13 mmHg ( 20 °C)
0.98 mmHg ( 50 °C)
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grade

reagent grade

vapor pressure

0.13 mmHg ( 20 °C)
0.98 mmHg ( 50 °C)

product line

Vetec

Assay

98%

form

liquid

autoignition temp.

851 °F

expl. lim.

14.3 %

dilution

(for analytical testing)

refractive index

n20/D 1.421 (lit.)

pH

7 (20 °C, 200 g/L)

bp

240 °C (lit.)

mp

−55 °C (lit.)

density

1.204 g/mL at 25 °C (lit.)

SMILES string

CC1COC(=O)O1

InChI

1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3

InChI key

RUOJZAUFBMNUDX-UHFFFAOYSA-N

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Legal Information

Vetec is a trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

253.4 °F - closed cup

Flash Point(C)

123 °C - closed cup


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The oxidative decomposition mechanism of the lithium battery electrolyte solvent propylene carbonate (PC) with and without PF(6)(-) and ClO(4)(-) anions has been investigated using the density functional theory at the B3LYP/6-311++G(d) level. Calculations were performed in the gas phase (dielectric

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