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

Furaneol

PDF Excel Molecule Calculator
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)
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -298.64 kJ/mol Joback Calculated Property
Δfgas -493.78 kJ/mol Joback Calculated Property
Δfus 17.25 kJ/mol Joback Calculated Property
Δvap 56.26 kJ/mol Joback Calculated Property
log10WS -0.88 Crippen Calculated Property
logPoct/wat 0.764 Crippen Calculated Property
McVol 93.550 ml/mol McGowan Calculated Property
Pc 4504.30 kPa Joback Calculated Property
Inp [1023.00; 1110.00]   Show Hide
Inp 1097.00 NIST
Inp 1073.00 NIST
Inp 1077.00 NIST
Inp 1071.00 NIST
Inp 1068.00 NIST
Inp 1051.00 NIST
Inp 1053.00 NIST
Inp 1072.00 NIST
Inp 1056.00 NIST
Inp 1060.00 NIST
Inp 1071.00 NIST
Inp 1062.00 NIST
Inp 1064.00 NIST
Inp 1078.00 NIST
Inp 1096.00 NIST
Inp 1055.00 NIST
Inp 1063.00 NIST
Inp 1064.00 NIST
Inp 1083.00 NIST
Inp 1055.00 NIST
Inp 1057.00 NIST
Inp 1075.00 NIST
Inp 1060.00 NIST
Inp 1023.00 NIST
Inp 1056.00 NIST
Inp 1075.00 NIST
Inp 1076.00 NIST
Inp 1043.00 NIST
Inp 1050.00 NIST
Inp 1024.00 NIST
Inp 1031.00 NIST
Inp 1071.80 NIST
Inp Outlier 1110.00 NIST
Inp 1071.00 NIST
Inp 1099.00 NIST
Inp 1062.00 NIST
Inp 1076.00 NIST
Inp 1072.00 NIST
Inp 1080.00 NIST
Inp 1077.00 NIST
Inp 1058.00 NIST
Inp 1080.00 NIST
Inp 1050.00 NIST
Inp 1062.00 NIST
Inp 1076.00 NIST
Inp 1062.00 NIST
Inp 1100.00 NIST
Inp 1068.00 NIST
Inp 1100.00 NIST
Inp 1100.00 NIST
Inp 1051.00 NIST
Inp 1071.00 NIST
Inp 1046.00 NIST
Inp 1071.00 NIST
Inp 1064.00 NIST
Inp 1047.00 NIST
Inp 1059.00 NIST
Inp 1067.00 NIST
Inp 1070.00 NIST
Inp 1034.00 NIST
Inp 1061.00 NIST
Inp 1060.00 NIST
Inp 1065.00 NIST
Inp 1062.00 NIST
Inp 1032.00 NIST
Inp 1049.00 NIST
Inp 1081.00 NIST
Inp 1029.00 NIST
Inp 1033.00 NIST
Inp 1029.00 NIST
Inp 1029.00 NIST
Inp 1046.00 NIST
Inp 1030.00 NIST
Inp 1030.00 NIST
Inp 1023.00 NIST
Inp 1028.00 NIST
Inp 1032.00 NIST
Inp 1030.00 NIST
Inp 1080.00 NIST
Inp 1025.00 NIST
Inp 1059.00 NIST
Inp 1061.00 NIST
Inp 1025.00 NIST
Inp 1096.00 NIST
Inp 1025.00 NIST
Inp 1070.00 NIST
Inp Outlier 1108.00 NIST
Inp 1090.00 NIST
Inp 1064.00 NIST
Inp 1083.00 NIST
Inp 1060.00 NIST
Inp 1070.00 NIST
Inp 1060.00 NIST
Inp 1070.00 NIST
Inp 1025.00 NIST
Inp 1025.00 NIST
Inp 1063.00 NIST
Inp 1062.00 NIST
Inp 1096.00 NIST
Inp 1098.00 NIST
Inp 1090.00 NIST
Inp 1023.00 NIST
Inp 1096.00 NIST
Inp 1090.00 NIST
Inp 1096.00 NIST
Inp 1096.00 NIST
Inp 1024.00 NIST
Inp 1028.00 NIST
Inp 1056.00 NIST
Inp 1066.00 NIST
Inp 1061.00 NIST
Inp 1065.00 NIST
Inp 1070.00 NIST
Inp 1070.00 NIST
Inp 1061.00 NIST
Inp 1061.00 NIST
Inp 1065.00 NIST
I [1982.00; 2073.00]   Show Hide
I 2039.00 NIST
I 2037.00 NIST
I 2064.00 NIST
I 2028.00 NIST
I 2048.00 NIST
I 2039.00 NIST
I 2050.00 NIST
I 2024.00 NIST
I 2030.00 NIST
I 2031.00 NIST
I 2033.00 NIST
I 2033.00 NIST
I 2022.00 NIST
I 2047.00 NIST
I 2041.00 NIST
I 2054.00 NIST
I 2043.00 NIST
I 2033.00 NIST
I 2015.00 NIST
I 2028.00 NIST
I 2026.00 NIST
I 2039.00 NIST
I 1991.00 NIST
I 2016.00 NIST
I 2045.00 NIST
I 2018.00 NIST
I 2027.00 NIST
I 2060.00 NIST
I 2046.00 NIST
I 2043.30 NIST
I 2024.00 NIST
I 2031.00 NIST
I 2027.00 NIST
I 2000.00 NIST
I 1997.00 NIST
I 2000.00 NIST
I 1997.00 NIST
I 2001.00 NIST
I 2040.00 NIST
I 2030.00 NIST
I 2042.00 NIST
I 2025.00 NIST
I 1994.00 NIST
I 2035.00 NIST
I 2030.00 NIST
I 2064.00 NIST
I 2063.00 NIST
I 2056.00 NIST
I 2031.00 NIST
I 2053.00 NIST
I 2030.00 NIST
I 2024.00 NIST
I 2027.00 NIST
I 2025.00 NIST
I 2038.00 NIST
I 2030.00 NIST
I 2033.00 NIST
I 2047.00 NIST
I 2024.00 NIST
I 2031.00 NIST
I 2032.00 NIST
I 2016.00 NIST
I 2016.00 NIST
I 2016.00 NIST
I 2035.00 NIST
I 2030.00 NIST
I 2016.00 NIST
I 1991.00 NIST
I 1991.00 NIST
I 1992.00 NIST
I 1993.00 NIST
I 2007.00 NIST
I 2028.00 NIST
I 2030.00 NIST
I 2031.00 NIST
I 2062.00 NIST
I 2034.00 NIST
I Outlier 2071.00 NIST
I 2029.00 NIST
I 2049.00 NIST
I 2049.00 NIST
I 2041.00 NIST
I 2020.00 NIST
I Outlier 2072.00 NIST
I 2038.00 NIST
I 2042.00 NIST
I 2008.00 NIST
I 2040.00 NIST
I 2043.00 NIST
I Outlier 2072.00 NIST
I Outlier 2073.00 NIST
I 2041.00 NIST
I 2039.00 NIST
I 2049.00 NIST
I 2034.00 NIST
I 2036.00 NIST
I 2029.00 NIST
I 2012.00 NIST
I 2064.00 NIST
I 2070.00 NIST
I 2031.00 NIST
I 2064.00 NIST
I 2037.00 NIST
I 2025.00 NIST
I 2026.00 NIST
I 2043.00 NIST
I 2050.00 NIST
I 2030.00 NIST
I 2031.00 NIST
I 2020.00 NIST
I 2030.00 NIST
I 2020.00 NIST
I 2020.00 NIST
I 2014.00 NIST
I 2013.00 NIST
I 2057.00 NIST
I 2035.00 NIST
I 2042.00 NIST
I Outlier 1988.00 NIST
I 2040.00 NIST
I 1995.00 NIST
I 2043.00 NIST
I Outlier 1982.00 NIST
I 2047.00 NIST
I 1992.00 NIST
I 1992.00 NIST
I 2060.00 NIST
I 2045.00 NIST
I 1992.00 NIST
I 2045.00 NIST
I 1998.00 NIST
I 2016.00 NIST
I 2054.00 NIST
I 2013.00 NIST
I 2040.00 NIST
I 2031.00 NIST
I 2038.00 NIST
I 2042.00 NIST
I 2002.00 NIST
I 1992.00 NIST
I 1992.00 NIST
I 2018.00 NIST
I 2018.00 NIST
I 2022.00 NIST
I 2024.00 NIST
I 2031.00 NIST
I 2039.00 NIST
I Outlier 2073.00 NIST
I 2066.00 NIST
I Outlier 2071.00 NIST
I 2034.00 NIST
I 2025.00 NIST
I 2025.00 NIST
I 2040.00 NIST
I 2035.00 NIST
I 2002.00 NIST
I 2023.00 NIST
I 2012.00 NIST
I 2020.00 NIST
I 2025.00 NIST
I 2015.00 NIST
I 2022.00 NIST
I 2025.00 NIST
I 2034.00 NIST
I 2045.00 NIST
I 2025.00 NIST
I 2035.00 NIST
I 2030.00 NIST
I 2053.00 NIST
I 2038.00 NIST
I 2031.00 NIST
I 2035.00 NIST
I 1992.00 NIST
Tboil 548.03 K Joback Calculated Property
Tc 754.77 K Joback Calculated Property
Tfus [353.90; 355.22] K Show Hide
Tfus 353.90 K Experim...
Tfus 355.22 K Thermod...
Vc 0.345 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [221.64; 272.59] J/mol×K [548.03; 754.77] Show Hide
Cp,gas 221.64 J/mol×K 548.03 Joback Calculated Property
Cp,gas 231.11 J/mol×K 582.49 Joback Calculated Property
Cp,gas 240.20 J/mol×K 616.94 Joback Calculated Property
Cp,gas 248.92 J/mol×K 651.40 Joback Calculated Property
Cp,gas 257.23 J/mol×K 685.86 Joback Calculated Property
Cp,gas 265.12 J/mol×K 720.32 Joback Calculated Property
Cp,gas 272.59 J/mol×K 754.77 Joback 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-4(H)-pyran-4-one. 2,3-Dihydro-5-hydroxy-6-methyl-4H-pyran-4-one. Dihydromaltol.

Find more compounds similar to Furaneol.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.