91604-41-0

Name (+)-1,4-DI-O-BENZYL-D-THREITOL
CAS 91604-41-0
Molecular Formula C18H22O4
MDL Number MFCD00077722
Molecular Weight 302.36
MOL File 91604-41-0.mol
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Chemical Properties

Appearance white to light yellow crystal powde
Melting point  55-57 °C (lit.)
Boiling point  484.4±45.0 °C(Predicted)
density  1.174±0.06 g/cm3(Predicted)
refractive index  6.3 ° (C=5, CHCl3)
solubility  almost transparency in Chloroform
form  powder to crystal
pka 13.24±0.20(Predicted)
color  White to Almost white
Optical Rotation [α]20/D +6°, c = 5 in chloroform
BRN  3557415
InChI 1S/C18H22O4/c19-17(13-21-11-15-7-3-1-4-8-15)18(20)14-22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-/m1/s1
InChIKey YAVAVQDYJARRAU-QZTJIDSGSA-N
SMILES O[C@H](COCc1ccccc1)[C@H](O)COCc2ccccc2
CAS DataBase Reference 91604-41-0(CAS DataBase Reference)

Safety Data

WGK Germany  3
HS Code  2909.49.1500
Storage Class 11 - Combustible Solids

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