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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
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. |
Hazard Codes: T,Xi
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
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 .