ChemSpider 2D Image | (-)-Myrtenyl acetate | C12H18O2

(-)-Myrtenyl acetate

  • Molecular FormulaC12H18O2
  • Average mass194.270 Da
  • Monoisotopic mass194.130676 Da
  • ChemSpider ID26593271

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(-)-Myrtenyl acetate
[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl acetate [ACD/IUPAC Name]
[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl-acetat [German] [ACD/IUPAC Name]
252-909-9 [EINECS]
36203-31-3 [RN]
Acétate de [(1R,5S)-6,6-diméthylbicyclo[3.1.1]hept-2-én-2-yl]méthyle [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1R,5S)- [ACD/Index Name]
myrtenyl acetate
MYRTENYL ACETATE, (-)-

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

8W7GD2GF45 [DBID]
UNII:8W7GD2GF45 [DBID]
UNII-8W7GD2GF45 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 243.2±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.0±3.0 kJ/mol
Flash Point: 97.8±0.0 °C
Index of Refraction: 1.483
Molar Refractivity: 55.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 455.30
ACD/KOC (pH 5.5): 2782.34
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 455.30
ACD/KOC (pH 7.4): 2782.34
Polar Surface Area: 26 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 192.5±3.0 cm3

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