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545-47-1

Name Lupeol
CAS 545-47-1
EINECS(EC#) 208-889-9
Molecular Formula C30H50O
MDL Number MFCD00017351
Molecular Weight 426.72
MOL File 545-47-1.mol

Chemical Properties

Melting point  215°
alpha  D20 +27.2° (c = 4.8 in chloroform)
Boiling point  482.1°C (rough estimate)
density  0.9457
refractive index  1.4910 (estimate)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  neat
pka 15.19±0.70(Predicted)
color  White to Off-White
Optical Rotation +26.420 (c 3.51, CHCl3)
Cosmetics Ingredients Functions SKIN CONDITIONING
InChIKey MQYXUWHLBZFQQO-QGTGJCAVSA-N
SMILES [H]C12CCC3C4(C)CCC(O)C(C)(C)[C@]4([H])CCC3(C)[C@]1(C)CCC5(C)CC[C@H](C(C)=C)[C@]25[H]
LogP 10.460 (est)
CAS DataBase Reference 545-47-1(CAS DataBase Reference)
NIST Chemistry Reference Lupeol(545-47-1)

Safety Data

Safety Statements 
WGK Germany  2
RTECS  OK5763000
HS Code  29061990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Hazardous Substances Data 545-47-1(Hazardous Substances Data)

Hazard Information

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