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Cas Database |
| Name |
6-Methylbenzo(a)pyrene |
EINECS | 219-179-3 |
| CAS No. | 2381-39-7 | Density | 1.254 g/cm3 |
| PSA | 0.00000 | LogP | 6.04560 |
| Solubility | N/A | Melting Point |
171.25°C |
| Formula | C21H14 | Boiling Point | 479.4 °C |
| Molecular Weight | 266.342 | Flash Point | 236.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data by skin contact. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6-Methyl-3,4-benzopyrene;6-Methylbenzo[a]pyrene |
Article Data | 6 |
6-Methylbenzo(a)pyrene Chemical Properties
Empirical Formula of 6-Methylbenzo(a)pyrene (CAS NO.2381-39-7): C21H14
Molecular Weight: 266.3359 g/mol
EINECS: 219-179-3
Index of Refraction: 1.853
Density: 1.254 g/cm3
Flash Point: 236.7 °C
Enthalpy of Vaporization: 71.53 kJ/mol
Boiling Point: 479.4 °C at 760 mmHg
Vapour Pressure: 6.9E-09 mmHg at 25 °C
Structure of 6-Methylbenzo(a)pyrene (CAS NO.2381-39-7):
IUPAC Name: 6-Methylbenzo[a]pyrene
Canonical SMILES: CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C15
InChI: InChI=1S/C21H14/c1-13-16-7-2-3-8-18(16)19-12-10-15-6-4-5-14-9-11-17(13)21(19)20(14)15/h2-12H,1H3
InChIKey: YFYHJNJCAGHSFA-UHFFFAOYSA-N
6-Methylbenzo(a)pyrene Toxicity Data With Reference
| 1. | mma-sat 6250 ng/plate | CNREA8 Cancer Research. 47 (1987),1509. | ||
| 2. | dnd-mus-skn 8 µmol/kg | CBINA8 Chemico-Biological Interactions. 47 (1983),111. | ||
| 3. | mma-ham:lng 3800 nmol/L | PNASA6 Proceedings of the National Academy of Sciences of the United States of America. 73 (1976),607. | ||
| 4. | dnd-uns:lyms 30 µmol/L | CBINA8 Chemico-Biological Interactions. 47 (1983),87. | ||
| 5. | skn-mus TDLo:43 mg/kg/20W-I:CAR | CBINA8 Chemico-Biological Interactions. 22 (1978),53. |
6-Methylbenzo(a)pyrene Consensus Reports
EPA Genetic Toxicology Program.
6-Methylbenzo(a)pyrene Safety Profile
Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data by skin contact. Mutation data reported. When heated to decomposition 6-Methylbenzo(a)pyrene (CAS NO.2381-39-7) emits toxic fumes of NOx.
6-Methylbenzo(a)pyrene Specification
6-Methylbenzo(a)pyrene , its cas register number is 2381-39-7. It also can be called 5-Methyl-3,4-benzopyrene ; 6-Methylbenzo(def)chrysene ; and Benzo(a)pyrene, 6-methyl- .
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