Β-carotene

Compound Structure

CAS Number: 7235-40-7

Molecular Mass: 536.9 g/mol

Formula: C40H56

Smiles: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Octanol 293.15 - 0.0949 [490]
Acetone 293.15 - 0.102 [488]
Cyclohexane 293.15 - 1.501 [488]
Cyclohexanone 293.15 - 1.66 [490]
Hexane 293.15 - 0.366 [488]
Methyl ethyl ketone 293.15 - 0.546 [489]
Toluene 293.15 - 5.537 [488]
tert-Butyl methyl ether 293.15 - 0.5376 [491]

Molecule 3D descriptors

Descriptor Value
PMI1 2891.3256
PMI2 41145.2847
PMI3 42967.4466
NPR1 0.0673
NPR2 0.9576
RadiusOfGyration 9.0015
InertialShapeFactor 0.0003
Eccentricity 0.9977
Asphericity 0.8119
SpherocityIndex 0.0586
PBF 1.0406