18997-54-1

Name PHENYLETHYL BETA-D-GLUCOPYRANOSIDE
CAS 18997-54-1
Molecular Formula C14H20O6
MDL Number MFCD04972099
Molecular Weight 284.3
MOL File 18997-54-1.mol
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Chemical Properties

Melting point  115 - 117°C
Boiling point  486.8±45.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
storage temp.  Refrigerator, Under Inert Atmosphere
solubility  DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form  Solid
pka 12.92±0.70(Predicted)
color  White to Off-White
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey MLRIJUWUQTVDQE-RKQHYHRCSA-N
SMILES O(CCC1=CC=CC=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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