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The Molecular Structure of 7-Ethoxymethyl-12-methylbenz(a)anthracene (CAS NO.63020-27-9):
Molecular Formula: C22H20O
Molecular Weight: 300.393600 g/mol
IUPAC: 7-(ethoxymethyl)-12-methylbenzo[b]phenanthrene
Index of Refraction: 1.687
Molar Refractivity: 100.53 cm3
Molar Volume: 263.7 cm3
Surface Tension: 47.5 dyne/cm
Density: 1.138 g/cm3
Flash Point: 278 °C
Enthalpy of Vaporization: 72.59 kJ/mol
Boiling Point: 488.5 °C at 760 mmHg
Vapour Pressure: 3.23E-09 mmHg at 25°C
InChI
InChI=1/C22H20O/c1-3-23-14-21-19-11-7-6-9-17(19)15(2)22-18-10-5-4-8-16(18)12-13-20(21)22/h4-13H,3,14H2,1-2H3
Smiles
c12c(c(c3ccccc3c2C)COCC)ccc2c1cccc2
Classification Code
Tumor data
The IUPAC of 7-Ethoxymethyl-12-methylbenz(a)anthracene (CAS NO.63020-27-9) is 7-(ethoxymethyl)-12-methylbenzo[b]phenanthrene .
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
7-Ethoxymethyl-12-methylbenz(a)anthracene (CAS NO.63020-27-9) is also called as 4-06-00-05097 (Beilstein Handbook Reference) ; 9-Methyl-10-ethoxymethyl-1,2-benzanthracene BRN 3382256 ; Benz(a)anthracene, 7-ethoxymethyl-12-methyl- .