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Basic Information
CAS No.: 522-16-7
Name: AURANTINE
Molecular Structure:
Molecular Structure of 522-16-7 (AURANTINE)
Formula: C20H20 O7
Molecular Weight: 372.375
Synonyms: Auranetin(6CI); Flavone, 3,4',6,7,8-pentamethoxy- (7CI,8CI)
Density: 1.29g/cm3
Boiling Point: 558.9°Cat760mmHg
Flash Point: 245.5°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
PSA: 76.36000
LogP: 3.50300
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Chemistry

Product Name: Aurantin (CAS NO.522-16-7)


Molecular Formula: C20H20O7
Molecular Weight: 372.37g/mol
Mol File: 522-16-7.mol
Boiling point: 558.9 °C at 760 mmHg
Flash Point: 245.5 °C
Density: 1.29 g/cm3
Surface Tension: 51.2 dyne/cm
Enthalpy of Vaporization: 84.11 kJ/mol
Vapour Pressure: 1.6E-12 mmHg at 25°C
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 7
Structure Descriptors of Aurantin (CAS NO.522-16-7):
  IUPAC Name: 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
  Canonical SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC
  InChI: InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)16-19(25-4)15(21)13-10-14(23-2)18(24-3)20(26-5)17(13)27-16/h6-10H,1-5H3 
  InChIKey: DGNOHOXRWCCDLK-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

dnd-omi 10 mg/L

     BIORAK    Biochemistry. Translation of BIOHAO. 39 (1974),587.
2.    

dni-mam:lym 10 mg/L

     BIORAK    Biochemistry. Translation of BIOHAO. 39 (1974),587.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.

Specification

 Aurantin ,its CAS NO. is 522-16-7,the synonyms is 4H-1-Benzopyran-4-one, 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)- .