ChemSpider 2D Image | (3E,6E)-8-ocimenyl acetate | C12H18O2

(3E,6E)-8-ocimenyl acetate

  • Molecular FormulaC12H18O2
  • Average mass194.270 Da
  • Monoisotopic mass194.130676 Da
  • ChemSpider ID30777363

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,5E)-2,6-Dimethyl-2,5,7-octatrien-1-yl acetate [ACD/IUPAC Name]
(2E,5E)-2,6-Dimethyl-2,5,7-octatrien-1-yl-acetat [German] [ACD/IUPAC Name]
(3E,6E)-8-ocimenyl acetate
2,5,7-Octatrien-1-ol, 2,6-dimethyl-, acetate, (2E,5E)- [ACD/Index Name]
223705-78-0 [RN]
8-OCIMENYL ACETATE, (3E,6E)-
Acétate de (2E,5E)-2,6-diméthyl-2,5,7-octatrién-1-yle [French] [ACD/IUPAC Name]
(2E,5E)-2,6-dimethylocta-2,5,7-trien-1-yl acetate
197098-61-6 [RN]
8-Ocimenyl acetate
More...

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

9P5GP0V1Y2 [DBID]
UNII:9P5GP0V1Y2 [DBID]
UNII-9P5GP0V1Y2 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 271.1±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 103.0±19.9 °C
Index of Refraction: 1.468
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.81
ACD/KOC (pH 5.5): 1373.45
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.81
ACD/KOC (pH 7.4): 1373.45
Polar Surface Area: 26 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 28.5±3.0 dyne/cm
Molar Volume: 212.0±3.0 cm3

Click to predict properties on the Chemicalize site


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