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Genipin Structure

Genipin

Chemical Properties

Melting point 118.0 to 123.0 °C
Boiling point 287.83°C (rough estimate)
Density  1.1230 (rough estimate)
refractive index  1.4720 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO: ≥25mg/mL
form  powder
pka 12.06±0.60(Predicted)
color  White to Almost white
λmax 240nm(MeOH)(lit.)
InChI InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
InChIKey AZKVWQKMDGGDSV-BCMRRPTOSA-N
SMILES [C@@H]1(O)OC=C(C(OC)=O)[C@@]2([H])CC=C(CO)[C@@]12[H]
CAS DataBase Reference 6902-77-8(CAS DataBase Reference)
FDA UNII A3V2NE52YG

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordDanger
Hazard statements H301
Precautionary statements P301+P310+P330
Hazard Codes  Xn
Risk Statements  22
Safety Statements  3/14-36/37/39
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  GY5828000
HazardClass  6.1
PackingGroup  III
HS Code  29329990
NFPA 704:
0
2 0

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