ChemSpider 2D Image | Methyl-γ-ionone | C14H22O

Methyl-γ-ionone

  • Molecular FormulaC14H22O
  • Average mass206.324 Da
  • Monoisotopic mass206.167068 Da
  • ChemSpider ID21172679

More details:

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

230-969-7 [EINECS]
3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-3-methyl- [ACD/Index Name]
4-(2,2-Dimethyl-6-methylencyclohexyl)-3-methyl-3-buten-2-on [German] [ACD/IUPAC Name]
4-(2,2-Dimethyl-6-methylenecyclohexyl)-3-methyl-3-buten-2-one [ACD/IUPAC Name]
4-(2,2-Diméthyl-6-méthylènecyclohexyl)-3-méthyl-3-butén-2-one [French] [ACD/IUPAC Name]
7388-22-9 [RN]
Methyl-γ-ionone
3-methyl-4-(2,2-dimethyl-6-methylenecyclohexyl)-3-buten-2-one

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

Density: 0.9±0.1 g/cm3
Boiling Point: 285.9±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.5±3.0 kJ/mol
Flash Point: 122.4±17.5 °C
Index of Refraction: 1.476
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 484.08
ACD/KOC (pH 5.5): 2907.16
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 484.08
ACD/KOC (pH 7.4): 2907.16
Polar Surface Area: 17 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 29.5±5.0 dyne/cm
Molar Volume: 227.3±5.0 cm3

Click to predict properties on the Chemicalize site


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