17682-70-1

Name Diacetone L-sorbose
CAS 17682-70-1
Molecular Formula C12H20O6
MDL Number MFCD00132929
Molecular Weight 260.28
MOL File 17682-70-1.mol
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Chemical Properties

Appearance White Crytalline Solid
Melting point  55-65°C
Boiling point  130-135 °C(Press: 0.1-0.3 Torr)
density  1.181±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Acetone, Dichloromethane
form  Powder
pka 14.66±0.10(Predicted)
color  White to Off-white
Optical Rotation [α]/D -16.5±1.5°, c = 1.5 in acetone
InChI 1S/C12H20O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h7-9,13H,5-6H2,1-4H3/t7-,8+,9-,12-/m0/s1
InChIKey GQXSDDHYUVYJCQ-NHRVJRKFSA-N
SMILES CC1(C)OC[C@@H]2O[C@@]3(CO)OC(C)(C)O[C@H]3[C@@H]2O1
CAS DataBase Reference 17682-70-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
HS Code  29400090
Storage Class 11 - Combustible Solids

Hazard Information

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