17680-99-8

Name P-TOLYL-BETA-D-GLUCURONIDE
CAS 17680-99-8
Molecular Formula C13H16O7
MDL Number MFCD08277028
Molecular Weight 284.26
MOL File 17680-99-8.mol

Chemical Properties

Melting point  138-141°C
Boiling point  549.7±50.0 °C(Predicted)
density  1.524±0.06 g/cm3(Predicted)
storage temp.  −20°C
solubility  H2O: 50 mg/mL, soluble
form  white powder
pka 2.80±0.70(Predicted)
color  White
biological source synthetic
Major Application metabolomics
InChI 1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1
InChIKey JPAUCQAJHLSMQW-XPORZQOISA-N
SMILES O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=CC=C(C)C=C2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501
WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

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