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474-67-9

Name BRASSICASTEROL
CAS 474-67-9
EINECS(EC#) 207-486-5
Molecular Formula C28H46O
MDL Number MFCD00201659
Molecular Weight 398.66
MOL File 474-67-9.mol

Chemical Properties

Melting point  205-213℃
Boiling point  488.7±14.0 °C(Predicted)
density  0.99±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Solid
pka 15.03±0.70(Predicted)
color  White to Off-White
biological source semisynthetic
InChIKey OILXMJHPFNGGTO-FFCHNKSWNA-N
SMILES [C@@]12([H])CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H] |&1:0,4,5,9,14,18,20,24,30,r|
LogP 9.679 (est)

Safety Data

WGK Germany  3
HS Code  29061310

Hazard Information

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