7,12-dimethylbenz(a)anthracene 5,6-oxide

Systematic Name: 6,11-Dimethyl-1a,11b-dihydrotetrapheno[5,6-b]oxirene
Synonyms of 7,12-Dimethylbenz(a)anthracene 5,6-oxide (CAS NO.39834-38-3 ): 1a,11b-Dihydro-6,11-dimethylbenz(3,4)anthra(1,2-b)oxirene ; 5,6-Epoxy-5,6-dihydro-7,12-dimethylbenz(a)anthracene ; 5-17-02-00484 (Beilstein Handbook Reference) ; 7,12-Dimethyl-5,6-epoxy-5,6-dihydrobenz(a)anthracene ; 7,12-Dimethylbenz(a)anthracene-5,6-epoxide ; Benz(a)anthracene, 5,6-dihydro-7,12-dimethyl-5,6-epoxy-
CAS NO: 39834-38-3
Molecular Formula: C₂₀H₁₆O
Molecular Weight: 272.3404
Molecular Structure :
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 12.53 Å²
Index of Refraction: 1.695
Molar Refractivity: 85.55 cm³
Molar Volume: 222.5 cm³
Surface Tension: 52.5 dyne/cm
Density: 1.223 g/cm³
Flash Point: 223.4 °C
Enthalpy of Vaporization: 70.26 kJ/mol
Boiling Point: 468.4 °C at 760 mmHg
Vapour Pressure: 1.69E-08 mmHg at 25°C
InChI: InChI=1/C20H16O/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19-20(18)21-19/h3-10,19-20H,1-2H3
InChIKey: HVGNLIKFFBYBQM-UHFFFAOYAV
Std. InChI: InChI=1S/C20H16O/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19-20(18)21-19/h3-10,19-20H,1-2H3
Std. InChIKey: HVGNLIKFFBYBQM-UHFFFAOYSA-N

EPA Genetic Toxicology Program.

Human mutation data reported. When 7,12-Dimethylbenz(a)anthracene 5,6-oxide (CAS NO.39834-38-3 ) is heated to decomposition ,it emits acrid smoke and irritating fumes.