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ChemSpider 2D Image | (13Z)-?-carotene | C40H56


  • Molecular FormulaC40H56
  • Average mass536.873 Da
  • Monoisotopic mass536.438232 Da
  • ChemSpider ID8432151
  • Double-bond stereo - Double-bond stereo

More details:

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

(13cis)-β,β-Carotene [ACD/IUPAC Name]
(13cis)-β,β-Carotène [French] [ACD/IUPAC Name]
(13cis)-β,β-Carotin [German] [ACD/IUPAC Name]
1,3,3-Triméthyl-2-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-tétraméthyl-18-(2,6,6-triméthyl-1-cyclohexén-1-yl)-1,3,5,7,9,11,13,15,17-octadécanonaèn-1-yl]cyclohexène [French]
6811-73-0 [RN]
β,β-Carotene, (13cis)- [ACD/Index Name]
β-CAROTENE, (13Z)-

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      44 LKT Labs [C0269]
      H302 H312 H332 H315 H319 H335 EUH044 LKT Labs [C0269]
      Xn, Xi LKT Labs [C0269]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 654.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 92.9±0.8 kJ/mol
Flash Point: 346.0±17.2 °C
Index of Refraction: 1.566
Molar Refractivity: 185.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 15.51
ACD/LogD (pH 5.5): 13.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 570.1±3.0 cm3

Click to predict properties on the Chemicalize site