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3,4,6-Tri-O-benzyl-D-glucal Structure

3,4,6-Tri-O-benzyl-D-glucal

  • Product Name3,4,6-Tri-O-benzyl-D-glucal
  • CAS55628-54-1
  • CBNumberCB5234378
  • MFC27H28O4
  • MW416.51
  • MDL NumberMFCD00061640
  • MOL File55628-54-1.mol

Chemical Properties

Melting point: 57-58 °C(lit.)
alpha  -2.7 º (c=5 in chloroform)
Boiling point: 494.82°C (rough estimate)
Density  1.0800 (rough estimate)
refractive index  -2 ° (C=2.5, CH3CN)
storage temp.  -20°C
form  powder to crystal
color  White to Orange to Green
optical activity [α]25/D 2.7°, c = 5 in chloroform
Water Solubility  Insoluble in water, easily soluble in CHCl3
Sensitive  Hygroscopic
BRN  1691968
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-PFBJBMPXSA-N
SMILES C1O[C@H](COCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)C=1 |&1:2,12,21,r|
CAS DataBase Reference 55628-54-1(CAS DataBase Reference)

Safety

Symbol(GHS) 
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
PPE Eyeshields, Gloves, type N95 (US)
Hazard Codes  C
Risk Statements  34
Safety Statements  24/25-45-36/37/39-27-26
WGK Germany  3
F  10-21
HS Code  29329900
Storage Class 11 - Combustible Solids
NFPA 704:
0
1 0

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