Chemical Properties of Furaneol (CAS 3658-77-3)

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
Molecular Weight1
128.13
CAS
3658-77-3
Other Names
  • 2,3-Dihydro-4-hydroxy-2,5-dimethyl-3-furanone
  • 2,5-Dimethyl-4(1H)-hydroxy-3(2H)-furanone
  • 2,5-Dimethyl-4-hydroxy-(2H)-furan-3-one
  • 2,5-Dimethyl-4-hydroxy-2,3-dihydrofuran-3-one
  • 2,5-Dimethyl-4-hydroxy-3(2H)-fuiranone
  • 2,5-dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran
  • 2,5-dimethyl-4,5-dihydrofuran-3-ol-4-one
  • 2,5-dimethyl-4-hydroxy-(2H)-furan-3-one (furaneol)
  • 2,5-dimethyl-4-hydroxy-2,3-dihydrofuran-3-one (furaneol)
  • 2,5-dimethyl-4-hydroxy-3(2H)-furanone
  • 2,5-dimethyl-4-hydroxy-3(2H)-furanone (DMHF)
  • 2,5-dimethyl-4-hydroxy-3(2H)-furanone (Furaneol)
  • 3(2H)-Furanone, 2,5-dimethyl-4-hydroxy-
  • 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-
  • 4-Hydroxy-2,5-dimethyl-3(2H)furanone
  • 4-Hydroxy-2,5-dimethyl-3-furanone
  • 4-Hydroxy-2,5-dimethylfuran-3(2H)-one
  • 4-hydroxy-2,5-dimethyl-3(2H)-furanone
  • 4-hydroxy-2,5-dimethyl-3(2H)-furanone (Furaneol)
  • 4-hydroxy-2,5-dimethyl-3(2H)-furanone (HDMF)
  • 4-hydroxy-2,5-dimethylfuran-2(3H)-one
  • 4-hydroxy-2,5-dimethylfuran-3( 2H)-one (Furaneol)
  • Alletone
  • COE 536
  • FEMA 3174
  • Pineapple ketone
  • hydroxy-2,5-dimethyl-3(2H)-4-furanone (Furaneol)
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Physical Properties

Property Value Unit Source
ΔfusH° 17.25 kJ/mol Joback Calculated Property
logPoct/wat 0.764 Crippen Calculated Property
McVol 93.550 ml/mol McGowan Calculated Property
Inp [1023.00; 1110.00]   Show Hide
Inp 1097.00 NIST
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Ip [1982.00; 2073.00]   Show Hide
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Tfus [353.65; 355.22] K Show Hide
Tfus 353.90 K Experimental determination and correlation of the solubility of 4-hydroxy-2,5-dimethyl-3(2H)-furanone (DMHF) in six different solvents
Tfus 355.22 K Thermodynamic equilibrium of 4-hydroxy-2,5-dimethyl-3(2H)-furanone in different solvent systems
Tfus 353.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [134.40; 312.11] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.23700e+01
Coefficient B3.93240e-01
Coefficient C-5.57000e-05
Coefficient D-5.78000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 134.40 J/mol×K 273.00 Calculated Property
Cp,gas 161.96 J/mol×K 353.78 Calculated Property
Cp,gas 187.99 J/mol×K 434.56 Calculated Property
Cp,gas 212.32 J/mol×K 515.33 Calculated Property
Cp,gas 234.75 J/mol×K 596.11 Calculated Property
Cp,gas 255.10 J/mol×K 676.89 Calculated Property
Cp,gas 273.20 J/mol×K 757.67 Calculated Property
Cp,gas 288.86 J/mol×K 838.44 Calculated Property
Cp,gas 301.89 J/mol×K 919.22 Calculated Property
Cp,gas 312.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone. 3(2H)-Furanone, 4-methoxy-2,5-dimethyl-. Homofuraneol. 2,5-Dimethyl-4-ethoxy-3(2H)furanone. 4-acetoxy-2,5-dimethyl-3(2H)-furanone. 2,5-Dimethyl-4-butoxy-3(2H)furanone. 5-Ethyl-2-methyl-4-[(trimethylsilyl)oxy]furan-3(2H)-one. 2,5-dimethyl-4-(3-methylbutoxy)-3(2H)furanone. 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone, acetate. 2,5-Dimethyl-4-(3-hexenoyl)-3(3H)furanone. 2-Ethyl-5-methyl-4-[(trimethylsilyl)oxy]furan-3(2H)-one. 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-. 2,3-Dihydro-5-hydroxy-6-methyl-4H-pyran-4-one. 2,3-Dihydro-5-hydroxy-6-methyl-4(H)-pyran-4-one. Dihydromaltol.

Find more compounds similar to Furaneol.

Mixtures

Sources

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