3808-26-2

Name Tocopherol Impurity 1
CAS 3808-26-2
Molecular Formula C29H48O2
Molecular Weight 428.69
MOL File 3808-26-2.mol
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Chemical Properties

Boiling point  529.1±50.0 °C(Predicted)
density  0.939±0.06 g/cm3(Predicted)
pka 11.07±0.40(Predicted)
InChI InChI=1S/C29H48O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h17,19-22,30H,9-16,18H2,1-8H3
InChIKey JDRGHECKJUSWSU-UHFFFAOYSA-N
SMILES C1(C)(CCCC(C)CCCC(C)CCCC(C)C)OC2=C(C)C(C)=C(O)C(C)=C2C=C1

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