80040-79-5

Name TRI-O-BENZYL-D-GLUCAL
CAS 80040-79-5
Molecular Formula C27H28O4
MDL Number MFCD00061640
Molecular Weight 416.51
MOL File 80040-79-5.mol
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Chemical Properties

Appearance White to yellowish crystalline powder
Melting point  57-58 °C(lit.)
Boiling point  544.9±50.0 °C(Predicted)
density  1.16±0.1 g/cm3(Predicted)
refractive index  -34 ° (C=1, MeOH)
Fp  >230 °F
storage temp.  −20°C
solubility  Soluble in dichloromethane or chloroform,
form  Powder
color  White to Yellow
Optical Rotation [α]22/D 43°, c = 1 in methylene chloride
InChI InChI=1/C27H28O4/c1-4-10-22(11-5-1)18-28-21-26-27(31-20-24-14-8-3-9-15-24)25(16-17-29-26)30-19-23-12-6-2-7-13-23/h1-17,25-27H,18-21H2/t25-,26-,27-/s3
InChIKey MXYLLYBWXIUMIT-VGLBIDFINA-N
SMILES [C@H]1(OCC2C=CC=CC=2)[C@@H](COCC2C=CC=CC=2)OC=C[C@H]1OCC1C=CC=CC=1 |&1:0,9,22,r|

Safety Data

WGK Germany  3
F  10-21
HS Code  9999999999
Storage Class 11 - Combustible Solids

Hazard Information

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