ChemSpider 2D Image | Vanillin 2,3-butanediol acetal | C12H16O4

Vanillin 2,3-butanediol acetal

  • Molecular FormulaC12H16O4
  • Average mass224.253 Da
  • Monoisotopic mass224.104858 Da
  • ChemSpider ID21106006

More details:






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

Vanillin 2,3-butanediol acetal
2-(4-Hydroxy-3-methoxyphenyl)-4,5-dimethyl-1,3-dioxolane
4-(4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol [ACD/IUPAC Name]
4-(4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol [German] [ACD/IUPAC Name]
4-(4,5-Diméthyl-1,3-dioxolan-2-yl)-2-méthoxyphénol [French] [ACD/IUPAC Name]
63253-24-7 [RN]
Phenol, 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxy- [ACD/Index Name]
UNII-4KH462EVTJ
Vanillin erythro- and threo-butan-2,3-diol acetal

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

FEMA No. 4023 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 338.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 158.3±27.9 °C
Index of Refraction: 1.514
Molar Refractivity: 59.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.65
ACD/KOC (pH 5.5): 176.29
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.61
ACD/KOC (pH 7.4): 175.60
Polar Surface Area: 48 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 197.4±3.0 cm3

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