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Cas Database |
| Name |
Benzo(a)pyren-3-ol |
EINECS | N/A |
| CAS No. | 13345-21-6 | Density | 1.379g/cm3 |
| PSA | 20.23000 | LogP | 5.44280 |
| Solubility | N/A | Melting Point |
186-188°C |
| Formula | C20H12 O | Boiling Point | 527.2°Cat760mmHg |
| Molecular Weight | 268.315 | Flash Point | 252.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental tumorigenic and neoplastigenic data by skin contact. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Hydroxy-3,4-benzo[a]pyrene;3-Hydroxybenzo[a]pyrene; 3-Hydroxybenzopyrene |
Article Data | 12 |
Benzo(a)pyren-3-ol Chemical Properties
IUPAC Name: Benzo[a]pyren-3-ol
Synonyms of Benzo(a)pyren-3-ol (CAS NO.13345-21-6): 3-Hydroxybenzo(a)pyrene ; 4-06-00-05133 (Beilstein Handbook Reference) ; 8-Hydroxy-3,4-benzpyrene ; BP-3-Hydroxy ; BRN 2333868 ; Benzo(a)pyrene, 3-hydroxy- ; CCRIS 1071
CAS NO: 13345-21-6
Molecular Formula of Benzo(a)pyren-3-ol (CAS NO.13345-21-6): C20H12O
Molecular Weight: 268.3087
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.924
Molar Refractivity: 92.18 cm3
Molar Volume: 194.5 cm3
Surface Tension: 72.9 dyne/cm
Density of Benzo(a)pyren-3-ol (CAS NO.13345-21-6): 1.379 g/cm3
Flash Point: 252.9 °C
Enthalpy of Vaporization: 83.19 kJ/mol
Boiling Point: 527.2 °C at 760 mmHg
Vapour Pressure: 9.85E-12 mmHg at 25°C
Molecular Structure:
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Benzo(a)pyren-3-ol Toxicity Data With Reference
| 1. | dnd-hmn:fbr 30 µmol/L | CBINA8 Chemico-Biological Interactions. 41 (1982),155. | ||
| 2. | dnr-esc 250 mg/L | JNCIAM Journal of the National Cancer Institute. 62 (1979),873. | ||
| 3. | msc-ham:lng 12 µmol/L | PNASA6 Proceedings of the National Academy of Sciences of the United States of America. 73 (1976),607. |
Benzo(a)pyren-3-ol Consensus Reports
EPA Genetic Toxicology Program.
Benzo(a)pyren-3-ol Safety Profile
Questionable carcinogen with experimental tumorigenic and neoplastigenic data by skin contact. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
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