Lycopene (data page)

This page provides supplementary chemical data on lycopene.

Material Safety Data Sheet

The handling of this chemical may incur notable safety precautions. It is highly recommend that you seek the Material Safety Datasheet (MSDS) for this chemical from a reliable source and follow its directions.

Structure and properties

All-trans-lycopene with canonical numbering:

Several common geometric isomers of lycopene.[1][2] In total, there are 72 possible isomers of lycopene (sterically hindered isomers not included).
Structure and properties
Index of refraction, nD ?
Dielectric constant, εr ? ε0 at ? °C
Bond strength ?
Bond length ?
Bond angle ?
Magnetic susceptibility ?

Spectral data

To date, no X-ray crystal structure of lycopene has been reported.

UV spectra of lycopene in hexane. A typical carotenoid, lycopene displays three absorbance maxima. A peak at 360 nm would indicate the presence of certain cis-isomers
UV-Vis
λmax 443, 471, 502 nm in hexane
Extinction coefficient, ε 1.72 × 105 L•mol−1•cm−1(at 502 nm)[3]
IR
Major absorption bands ? cm−1
NMR
Proton NMR  
Carbon-13 NMR  
Other NMR data  
MS
Masses of
main fragments 		 
  This box:
  

References

  1. ^ Chasse, Gregory A.; Mak, Melody L.; Deretey, Eugen; Farkas, Imre; Torday, Ladislaus L.; Papp, Julius G.; Sarma, Dittakavi S.R; Agarwal, Anita; Chakravarthi, Sujatha; Agarwal, Sanjiv; Rao, A.Venket (2001). "An ab initio computational study on selected lycopene isomers". Journal of Molecular Structure: Theochem. 571 (1–3): 27–37. doi:10.1016/S0166-1280(01)00424-9.
  2. ^ Chasse, Gregory A.; Chasse, Kenneth P.; Kucsman, Arpad; Torday, Ladislaus L.; Papp, Julius G. (2001). "Conformational potential energy surfaces of a Lycopene model". Journal of Molecular Structure: Theochem. 571 (1–3): 7–26. doi:10.1016/S0166-1280(01)00413-4.
  3. ^ For hexane:CH2Cl2 98:2 v/v