ChemSpider 2D Image | cis-vanillin 2,3-butanediol acetal | C12H16O4

cis-vanillin 2,3-butanediol acetal

  • Molecular FormulaC12H16O4
  • Average mass224.253 Da
  • Monoisotopic mass224.104858 Da
  • ChemSpider ID32701006

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

316811-68-4 [RN]
4-[(4R,5S)-4,5-Dimethyl-1,3-dioxolan-2-yl]-2-methoxyphenol [ACD/IUPAC Name]
4-[(4R,5S)-4,5-Dimethyl-1,3-dioxolan-2-yl]-2-methoxyphenol [German] [ACD/IUPAC Name]
4-[(4R,5S)-4,5-Diméthyl-1,3-dioxolan-2-yl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
cis-vanillin 2,3-butanediol acetal
Phenol, 4-[(4R,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]-2-methoxy- [ACD/Index Name]
63253-24-7 [RN]
UNII-4KH462EVTJ
Vanillin 2,3-butanediol acetal
VANILLIN 2,3-BUTANEDIOL ACETAL, CIS-

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

S78Z7NJ6E3 [DBID]
UNII:S78Z7NJ6E3 [DBID]
UNII-S78Z7NJ6E3 [DBID]

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

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

Click to predict properties on the Chemicalize site


Advertisement