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3343-08-6

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Basic Information
CAS No.: 3343-08-6
Name: 3-methylcholanthrene-2-one
Molecular Structure:
Molecular Structure of 3343-08-6 (3-methylcholanthrene-2-one)
Formula: C21H14 O
Molecular Weight: 282.342
Synonyms: 2-Cholanthrenone,3-methyl- (7CI,8CI); 2-Oxo-3-methylcholanthrene; 3-Methyl-2-oxocholanthrene;3-Methylcholanthren-2-one; 3-Methylcholanthrene-2-one
Density: 1.307g/cm3
Boiling Point: 547°Cat760mmHg
Flash Point: 245.7°C
Safety: Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 17.07000
LogP: 5.19340
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Chemistry

IUPAC Name: 3-methyl-1H-benzo[j]aceanthrylen-2-one
Synonyms of 3-Methylcholanthrene-2-one (CAS NO.3343-08-6): 3-Methylcholanthren-2-one ; BRN 2287429 ; Benz(j)aceanthrylen-2(1H)-one, 3-methyl- ; CCRIS 1129 ; 2-Cholanthrenone, 3-methyl-
CAS NO: 3343-08-6
Molecular Formula of 3-Methylcholanthrene-2-one (CAS NO.3343-08-6): C21H14O
Molecular Weight: 282.3353
Molecular Structure:

H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.8
Molar Refractivity: 92.29 cm3
Molar Volume: 215.9 cm3
Surface Tension: 63.9 dyne/cm
Density of 3-Methylcholanthrene-2-one (CAS NO.3343-08-6): 1.307 g/cm3
Flash Point: 245.7 °C
Enthalpy of Vaporization: 82.63 kJ/mol
Boiling Point: 547 °C at 760 mmHg
Vapour Pressure: 5.07E-12 mmHg at 25°C

Toxicity Data With Reference

1.    

mma-sat 20 nmol/plate

     CNREA8    Cancer Research. 38 (1978),3398.
2.    

mma-ham:lng 15 nmol/plate

     CNREA8    Cancer Research. 38 (1978),3398.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.