ChemSpider 2D Image | beta-Carotene | C40H56

β-Carotene

  • Molecular FormulaC40H56
  • Average mass536.873 Da
  • Monoisotopic mass536.438232 Da
  • ChemSpider ID4444129
  • Double-bond stereo - Double-bond stereo


More details:



Featured data source



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

β-Carotene [Wiki]
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaen-1,18-diyl]bis(2,6,6-trimethylcyclohexen) [German]
1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene)
1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tétraméthyl-1,3,5,7,9,11,13,15,17-octadécanonaène-1,18-diyl]bis(2,6,6-triméthylcyclohexène) [French]
7235-40-7 [RN]
all-E-b-Carotene
Betacaroteno [Spanish] [INN]
Betacarotenum [Latin]
BetaVit [Trade name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C.I. 75130 [DBID]
C02094 [DBID]
C4582_SIGMA [DBID]
C9750_SIGMA [DBID]
CCRIS 3245 [DBID]
CHEBI:17579 [DBID]
CI 40800 [DBID]
CI 75130 [DBID]
D03101 [DBID]
DivK1c_000330 [DBID]
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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

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