D-(+)-Sorbose Structure

D-(+)-Sorbose

Chemical Properties

Melting point 163-165 °C
Boiling point 232.96°C (rough estimate)
Density  1.2805 (rough estimate)
refractive index  1.6170 (estimate)
solubility  water: 50 mg/mL, clear, colorless to light yellow
form  powder to crystal
pka 11.86±0.20(Predicted)
color  White to Almost white
BRN  1724559
InChI 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1
InChIKey BJHIKXHVCXFQLS-PYWDMBMJSA-N
SMILES OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)CO
SCOGS (Select Committee on GRAS Substances) Sorbose (packaging)
CAS DataBase Reference 3615-56-3(CAS DataBase Reference)
FDA 21 CFR 186.1839
FDA UNII JJ09461NJS
UNSPSC Code 12352201
NACRES NA.25
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  24/25-36-26
WGK Germany  3
F  3-10
HS Code  29400090
Storage Class 11 - Combustible Solids
NFPA 704:
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