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Mixture of Furaneol + Isopropyl acetate
Name
Furaneol
InChI
InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
InChI Key
INAXVXBDKKUCGI-UHFFFAOYSA-N
Formula
C6H8O3
SMILES
CC1=C(O)C(=O)C(C)O1
Mol. Weight (g/mol)
128.13
CAS
3658-77-3
Name
Isopropyl acetate
InChI
InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChI Key
JMMWKPVZQRWMSS-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CC(=O)OC(C)C
Mol. Weight (g/mol)
102.13
CAS
108-21-4
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Datasets
Mole fraction
Mole fraction of Furaneol (1)
[ref]
Operational condition: Pressure, kPa = 100 (Liquid)
Temperature, K - Liquid
Mole fraction of Furaneol (1) - Liquid
283.15
0.0601
288.15
0.0936
293.15
0.1159
298.15
0.1426
303.15
0.1802
308.15
0.2169
313.15
0.2681
318.15
0.3125
Sources
Thermodynamic equilibrium of 4-hydroxy-2,5-dimethyl-3(2H)-furanone in different solvent systems
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