ChemSpider 2D Image | 3-Keto-β-ionone | C13H18O2

3-Keto-β-ionone

  • Molecular FormulaC13H18O2
  • Average mass206.281 Da
  • Monoisotopic mass206.130676 Da
  • ChemSpider ID21173162

More details:

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

2,4,4-Trimethyl-3-(3-oxo-1-buten-1-yl)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
2,4,4-Trimethyl-3-(3-oxo-1-buten-1-yl)-2-cyclohexen-1-one [ACD/IUPAC Name]
2,4,4-Triméthyl-3-(3-oxo-1-butén-1-yl)-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2,4,4-Trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one
248-307-0 [EINECS]
27185-77-9 [RN]
2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-buten-1-yl)- [ACD/Index Name]
3-Keto-β-ionone
2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one
2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one
More...

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 323.4±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 121.1±21.8 °C
Index of Refraction: 1.530
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.90
ACD/KOC (pH 5.5): 263.30
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.90
ACD/KOC (pH 7.4): 263.30
Polar Surface Area: 34 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 200.1±3.0 cm3

Click to predict properties on the Chemicalize site


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