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Basic Information
CAS No.: 3316-46-9
Name: APIGENINTRIACETATE
Article Data: 13
Molecular Structure:
Molecular Structure of 3316-46-9 (APIGENINTRIACETATE)
Formula: C21H16 O8
Molecular Weight: 396.353
Synonyms: Apigenintriacetate (6CI); Flavone, 4',5,7-trihydroxy-, triacetate (7CI,8CI);4',5,7-Triacetoxyflavone; Triacetyl apigenin
Density: 1.356g/cm3
Boiling Point: 569.5°Cat760mmHg
Flash Point: 249.6°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 109.11000
LogP: 3.23590
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Chemistry

Empirical Formula of Apigenin triacetate (CAS NO.3316-46-9): C21H16O8
Molecular Weight: 396.3469 g/mol
Index of Refraction: 1.587
Density: 1.356 g/cm3
Flash Point: 249.6 °C
Enthalpy of Vaporization: 85.44 kJ/mol
Boiling Point: 569.5 °C at 760 mmHg
Vapour Pressure: 5.55E-13 mmHg at 25 °C
Structure of Apigenin triacetate (CAS NO.3316-46-9):
              
IUPAC Name: [7-Acetyloxy-2-(4-acetyloxyphenyl)-4-oxochromen-5-yl] acetate
Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H16O8/c1-11(22)26-15-6-4-14(5-7-15)18-10-17(25)21-19(28-13(3)24)8-16(27-12(2)23)9-20(21)29-18/h4-10H,1-3H3
InChIKey: IVXFOQQPPONQTB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-sat 100 µLg/plate

     ENMUDM    Environmental Mutagenesis. 3 (1981),401.

Safety Profile

Mutation data reported. When heated to decomposition Apigenin triacetate (CAS NO.3316-46-9) emits acrid smoke and irritating vapors.

Specification

 Apigenin triacetate , its cas register number is 3316-46-9. It also can be called 4',5,7-Triacetoxy flavone ; 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(4-acetyloxy)phenyl- ; and Triacetyl apigenin .