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4-Methylumbelliferyl-beta-D-glucuronide Structure

4-Methylumbelliferyl-beta-D-glucuronide

Chemical Properties

Melting point 102 °C
alpha  -105 º (c=0.25, water 30 ºC)
Boiling point 683.1±55.0 °C(Predicted)
Density  1.632±0.06 g/cm3(Predicted)
storage temp.  −20°C
solubility  Methanol (Slightly), Water (Slightly)
form  White crystalline solid
pka 2.76±0.70(Predicted)
color  White
Water Solubility  slightly soluble
Sensitive  Moisture Sensitive
Major Application agriculture
environmental
food and beverages || microbiology
InChI InChI=1/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/s3
InChIKey ARQXEQLMMNGFDU-YXNYVWNSSA-N
SMILES CC1=CC(=O)OC2=CC(O[C@H]3[C@@H]([C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)O)=CC=C12 |&1:10,11,12,14,16,r|
CAS DataBase Reference 6160-80-1(CAS DataBase Reference)
EPA Substance Registry System .beta.-D-Glucopyranosiduronic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl (6160-80-1)

Safety Information

Hazard Codes  Xi,Xn
Risk Statements  22-40
Safety Statements  24/25-36/37
WGK Germany  3
TSCA  TSCA listed
HS Code  29329990
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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