55628-54-1

Name 3,4,6-Tri-O-benzyl-D-glucal
CAS 55628-54-1
Molecular Formula C27H28O4
MDL Number MFCD00061640
Molecular Weight 416.51
MOL File 55628-54-1.mol
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Chemical Properties

Appearance WHITE CRYSTALLINE POWDER
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 Rotation [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 Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
Hazard Codes  C
Risk Statements 
R34:Causes burns.
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
F  10-21
HS Code  29329900
Storage Class 11 - Combustible Solids

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