29884-49-9

Name TRANS-ASTRINGIN
CAS 29884-49-9
Molecular Formula C20H22O9
Molecular Weight 406.38
MOL File 29884-49-9.mol
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Chemical Properties

Melting point  218-220℃
Boiling point  756.1±60.0 °C(Predicted)
density  1.593±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO : 150 mg/mL (369.11 mM; Need ultrasonic)
form  Powder
pka 9.16±0.10(Predicted)
color  White to yellow
Major Application food and beverages
InChI 1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
InChIKey PERPNFLGJXUDDW-CUYWLFDKSA-N
SMILES O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)Oc2cc(cc(c2)\C=C\c3cc(c(cc3)O)O)O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral

Hazard Information

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