Product Name
7,12-Dimethylbenz(a)ant racene
Category
Heterocyclic Organic Compound
Description
7,12-dimethylbenz[a]anthracene appears as yellow to greenish-yellow crystals or a yellow solid. Odorless. Maximum fluorescence at 440 nm. Bluish-violet fluorescence in UV light. (NTP, 1992)
IUPAC Name
7,12-dimethylbenzo[a]anthracene
Molecular Weight
256.3g/mol
Canonical SMILES
CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C
InChI
InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3
InChI Key
ARSRBNBHOADGJU-UHFFFAOYSA-N
Melting Point
252 to 253 °F (NTP, 1992);122.5 °C;123 °C
Flash Point
187 °F (NTP, 1992)
Solubility
less than 1 mg/mL at 64° F (NTP, 1992);1.52e-07 M;In water, 0.061 mg/L water at 25 °C;In water, 0.039 mg/L water (average of 6 measured values from literature at 24-27 °C);Slightly soluble in alcohol; soluble in carbon disulfide, toluene;May be solubilized in water by purines such as caffeine, tetramethyluric acid; nucleosides, adenosine, & guanosine also show a solvent action;Freely soluble in benzene; moderately soluble in acetone; slightly soluble in alcohol
Color/Form
Plates, leaflets from acetone-alcohol, faint greenish-yellow tinge;Pale yellow plates from alcohol, acetic acid
Covalently-Bonded Unit Count
1
Decomposition
Hazardous decomposition products formed under fire conditions - Carbon oxides.[Sigma-Aldrich; Safety Data Sheet for 7,12-Dimethylbenz;When heated to decomposition it emits acrid smoke and irritating fumes.
Exact Mass
256.125201g/mol
LogP
5.8 (LogP);log Kow = 5.80
Monoisotopic Mass
256.125201g/mol
Odor
Odorless[NOAA; CAMEO Chemicals. Database of Hazardous Materials. 7,12-Dimethylbenz
Other Experimental
Henry's Law constant = 3.8X10-6 atm-cu m/mol at 25 °C (estimated from vapor pressure & water solubility);Hydroxyl radical reaction rate constant = 1.6X10-10 cu cm/molec-sec at 25 deg C (est)
Stability
Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for 7,12-Dimethylbenz
Vapor Pressure
6.8X10-7 mm Hg at 25 °C
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