465-42-9

Name CAPSANTHIN
CAS 465-42-9
EINECS(EC#) 207-364-1
Molecular Formula C40H56O3
MDL Number MFCD03423725
Molecular Weight 584.87
MOL File 465-42-9.mol
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Chemical Properties

Melting point  177-178℃
alpha  Cd +36° (chloroform)
Boiling point  581.82°C (rough estimate)
density  1.012
refractive index  1.4960 (estimate)
storage temp.  -20°C
solubility  Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
form  Solid
pka 14.85±0.60(Predicted)
color  Dark Red to Very Dark Brown
Optical Rotation 〔α〕Cd +36 (CHCl3)
λmax λ: 467-471 nm Amax
Merck  1769
Stability: Light Sensitive, Temperature Sensitive
Cosmetics Ingredients Functions COLORANT
InChIKey VYIRVAXUEZSDNC-RDJLEWNRSA-N
SMILES CC(/C=C/C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(\C=C\C([C@@]2(C)C(C)(C)C[C@H](O)C2)=O)C
LogP 9.467 (est)

Safety Data

WGK Germany  3
HS Code  2914.50.3000
Storage Class 11 - Combustible Solids
Safety Profile
A poison by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazardous Substances Data 465-42-9(Hazardous Substances Data)

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