ChemicalBook--->CAS DataBase List--->4569-98-6

4569-98-6

4569-98-6 Structure

4569-98-6 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Environment (GHS09)
GHS06,GHS09
[Signal word ]

Danger
[Hazard statements ]

H301-H410
[Precautionary statements ]

P273-P301+P310+P330
[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 InformationBack Directory
[Uses]

metabolomics
vitamins, nutraceuticals, and natural products
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