ChemSpider 2D Image | 2-Ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-methylbenzoate | C33H36O6

2-Ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-methylbenzoate

  • Molecular FormulaC33H36O6
  • Average mass528.635 Da
  • Monoisotopic mass528.251160 Da
  • ChemSpider ID2570807

More details:






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

2-Ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-methylbenzoate [ACD/IUPAC Name]
2-Ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl-3-methylbenzoat [German] [ACD/IUPAC Name]
3-Méthylbenzoate de 2-éthoxy-4-(3,3,6,6-tétraméthyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthén-9-yl)phényle [French] [ACD/IUPAC Name]
Benzoic acid, 3-methyl-, 2-ethoxy-4-(2,3,4,5,6,7,8,9-octahydro-3,3,6,6-tetramethyl-1,8-dioxo-1H-xanthen-9-yl)phenyl ester [ACD/Index Name]

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

EU-0081677 [DBID]
UNM000000680601 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 292.6±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 47676.11
ACD/KOC (pH 5.5): 77680.20
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47676.11
ACD/KOC (pH 7.4): 77680.20
Polar Surface Area: 79 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 429.4±5.0 cm3

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