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3351-86-8

Name 3'-(Acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-beta,beta-carotene
CAS 3351-86-8
EINECS(EC#) 200-486-6
Molecular Formula C42H58O6
MDL Number MFCD01745140
Molecular Weight 658.91
MOL File 3351-86-8.mol

Chemical Properties

Appearance Crystalline Solid
Melting point  166-168°C
alpha  D18 +72.5 ±9° (chloroform)
Boiling point  590.43°C (rough estimate)
density  1.09
refractive index  n20/D1.360-1.362
Fp  14℃
storage temp.  -20°C
solubility  Ethanol,
form  neat
pka 14.47±0.60(Predicted)
color  Crystalline
Usage A carotenoid pigment found in fresh brown algae
λmax λ: 444-454 nm Amax
InChIKey SJWWTRQNNRNTPU-WEAAWPSVSA-N
SMILES [C@]12(CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C=C3[C@@](O)(C)C[C@@H](OC(=O)C)CC3(C)C)C(C)(C)C[C@H](O)C[C@]1(O2)C |&1:0,25,29,42,45,r|
LogP 7.830 (est)
CAS DataBase Reference 3351-86-8(CAS DataBase Reference)

Safety Data

Hazard Codes  F
Risk Statements 
Safety Statements 
RIDADR  UN1170 - class 3 - PG 2 - Ethanol, solution
WGK Germany  3
HS Code  29153900

Hazard Information

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