ChemSpider 2D Image | (2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanone | C9H12O3

(2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanone

  • Molecular FormulaC9H12O3
  • Average mass168.190 Da
  • Monoisotopic mass168.078644 Da
  • ChemSpider ID61252473

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-2-Butyliden-4-hydroxy-5-methyl-3(2H)-furanon [German] [ACD/IUPAC Name]
(2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanone [ACD/IUPAC Name]
(2E)-2-Butylidène-4-hydroxy-5-méthyl-3(2H)-furanone [French] [ACD/IUPAC Name]
3(2H)-Furanone, 2-butylidene-4-hydroxy-5-methyl-, (2E)- [ACD/Index Name]
948557-15-1 [RN]
BDHMF
  • Miscellaneous

    • Compound Source:

      furaneol biosynthesis PlantCyc CPD-10208
      Solanum lycopersicum PlantCyc CPD-10208

    • Bio Activity:

      (2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanone + NADPH + H+ -> 2-butyl-4-hydroxy-5-methyl-3(2H)-furanone + NADP+ PlantCyc CPD-10208
      norfuraneol + butan-1-al -> (2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanone + H2O PlantCyc CPD-10208

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 320.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 65.1±6.0 kJ/mol
Flash Point: 129.7±21.4 °C
Index of Refraction: 1.613
Molar Refractivity: 46.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.65
ACD/KOC (pH 5.5): 149.33
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.49
ACD/KOC (pH 7.4): 146.22
Polar Surface Area: 47 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 132.7±3.0 cm3

Click to predict properties on the Chemicalize site


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