4569-98-6

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4569-98-6 Structure

Identification	Back Directory
[Name] 5-O-Methylgenistein
[CAS] 4569-98-6
[Synonyms] Isoprunetin 5-O-Methylgenistein Isoprunetin >=95% (LC/MS-ELSD) 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-
[Molecular Formula] C16H12O5
[MDL Number] MFCD18450707
[MOL File] 4569-98-6.mol
[Molecular Weight] 284.26

Chemical Properties	Back Directory
[Melting point ] 237-238 °C
[Boiling point ] 567.9±50.0 °C(Predicted)
[density ] 1.420±0.06 g/cm3(Predicted)
[storage temp. ] -20°C
[form ] solid
[pka] 6.65±0.20(Predicted)
[Major Application] metabolomics vitamins, nutraceuticals, and natural products
[InChI] 1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
[InChIKey] YSINCDVRUMTOPK-UHFFFAOYSA-N
[SMILES] COc1cc(O)cc2OC=C(C(=O)c12)c3ccc(O)cc3

Safety Data	Back Directory
[Hazard Codes ] T,N
[Risk Statements ] 25-50
[Safety Statements ] 45-61
[RIDADR ] UN 2811 6.1 / PGIII
[WGK Germany ] 3
[Storage Class] 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
[Hazard Classifications] Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1

Hazard Information	Back Directory
[Uses] metabolomics vitamins, nutraceuticals, and natural products

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