ChemSpider 2D Image | β-bisabolol | C15H26O

β-bisabolol

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID30777157

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S)-4-Methyl-1-[(2S)-6-methyl-5-hepten-2-yl]-3-cyclohexen-1-ol [German] [ACD/IUPAC Name]
(1S)-4-Methyl-1-[(2S)-6-methyl-5-hepten-2-yl]-3-cyclohexen-1-ol [ACD/IUPAC Name]
(1S)-4-Méthyl-1-[(2S)-6-méthyl-5-heptén-2-yl]-3-cyclohexén-1-ol [French] [ACD/IUPAC Name]
15352-77-9 [RN]
3-Cyclohexen-1-ol, 1-[(1S)-1,5-dimethyl-4-hexen-1-yl]-4-methyl-, (1S)- [ACD/Index Name]
β-bisabolol
(1S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]cyclohex-3-en-1-ol
1-[(1S)-1,5-Dimethyl-4-hexen-1-yl]-4-methyl-(1S)-3-Cyclohexen-1-ol
3-Cyclohexen-1-ol, 1-(1,5-dimethyl-4-hexenyl)-4-methyl- (8CI)
b-Bisabolol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 305.7±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.3±6.0 kJ/mol
Flash Point: 130.5±14.3 °C
Index of Refraction: 1.496
Molar Refractivity: 70.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1945.20
ACD/KOC (pH 5.5): 7867.51
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1945.20
ACD/KOC (pH 7.4): 7867.51
Polar Surface Area: 20 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 241.2±3.0 cm3

Click to predict properties on the Chemicalize site


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