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481-53-8

Basic Information
CAS No.: 481-53-8
Name: Tangeretin
Article Data: 24
Cas Database
Molecular Structure:
Molecular Structure of 481-53-8 (Tangeretin)
Formula: C20H20O7
Molecular Weight: 372.375
Synonyms: 2-(4-Methoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one;Pentamethoxyflavone;4H-1-Benzopyran-4-one, 5,6,7,8-tetra-methoxy-2-(4-methoxyphenyl)-;4H-1-Benzopyran-4-one,5,6,7,8-tetramethoxy- 2-(4-methoxyphenyl)-;Flavone, 4,5,6,7,8-pentamethoxy- (7CI,8CI);5-18-05-00491 (Beilstein Handbook Reference);Tangeretin (6CI);4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-;4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-;5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone;Ponkanetin;Flavone, 4,5,6,7,8-pentamethoxy-;4,5,6,7,8-Pentamethoxyflavone;5,6,7,8,4-Pentamethoxyflavone;TangeloTangeretin;5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one;Su-Orange;
EINECS: 207-570-1
Density: 1.244 g/cm3
Melting Point: 153.0 to 157.0 °C
Boiling Point: 565.3 °C at 760 mmHg
Flash Point: 248.4 °C
Solubility: N/A
Appearance: yellow crystalline
Hazard Symbols: ToxicT, IrritantXi
Risk Codes: 25-36/37/38
Safety: 45-36-26
Transport Information: UN 2811
PSA: 76.36000
LogP: 3.50300
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Chemistry

Molecular Structure of Tangeretin (CAS NO.481-53-8):

IUPAC Name: 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one 
Empirical Formula: C20H20O7
Molecular Weight: 372.3686
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 72.45Å2
Index of Refraction: 1.565
Molar Refractivity: 97.59 cm3
Molar Volume: 299.2 cm3
Surface Tension: 43.5 dyne/cm
Density: 1.244 g/cm3
Flash Point: 248.4 °C
Enthalpy of Vaporization: 84.92 kJ/mol
Boiling Point: 565.3 °C at 760 mmHg
Vapour Pressure: 8.41E-13 mmHg at 25°C
EINECS: 207-570-1
Product Categories: Flavanols; Natural Plant Extract
InChI
InChI=1/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
Smiles
COc1c(OC)c(OC)c2c(=O)cc(c3ccc(OC)cc3)oc2c1O

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Advances in Teratology. Vol. 3, Pg. 181, 1968.

Safety Profile

Hazard Codes: ToxicT,IrritantXi
Risk Statements: 25-36/37/38
S25:Avoid contact with eyes. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Safety Statements: 45-36-26
R45:May cause cancer. 
R36:Irritating to eyes. 
R26:Very toxic by inhalation.
RIDADR: UN 2811
RTECS: DJ3102725

Specification

  Tangeretin , with CAS number of 481-53-8, can be called 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(p-methoxyphenyl)- ; 4',5,6,7,8-Pentamethoxyflavone ; 2-(4-Methoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one ; Pentamethoxyflavone .