ChemSpider 2D Image | 1-[4-(trans-4-Butylcyclohexyl)phenyl]ethanone | C18H26O

1-[4-(trans-4-Butylcyclohexyl)phenyl]ethanone

  • Molecular FormulaC18H26O
  • Average mass258.398 Da
  • Monoisotopic mass258.198364 Da
  • ChemSpider ID24590731
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-[4-(trans-4-Butylcyclohexyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[4-(trans-4-Butylcyclohexyl)phenyl]ethanone [ACD/IUPAC Name]
1-[4-(trans-4-Butylcyclohexyl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-(trans-4-butylcyclohexyl)phenyl]- [ACD/Index Name]
1-(4-(Trans-4-butylcyclohexyl)phenyl)ethanone
4'-(trans-4-n-Butylcyclohexyl)acetophenone
4-(trans-4-n-Butylcyclohexyl)acetophenone
83626-30-6 [RN]

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

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-39519]
    • Safety:

      20/21/22 Novochemy [NC-39519]
      20/21/36/37/39 Novochemy [NC-39519]
      GHS07; GHS09 Novochemy [NC-39519]
      H332; H403 Novochemy [NC-39519]
      P332+P313; P305+P351+P338 Novochemy [NC-39519]
      R52/53 Novochemy [NC-39519]
      Warning Novochemy [NC-39519]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 377.9±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 161.0±17.0 °C
Index of Refraction: 1.504
Molar Refractivity: 80.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7089.85
ACD/KOC (pH 5.5): 19855.34
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7089.85
ACD/KOC (pH 7.4): 19855.34
Polar Surface Area: 17 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 272.8±3.0 cm3

Click to predict properties on the Chemicalize site






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