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Cas Database |
| Name |
6-Acetoxymethylbenzo(a)pyrene |
EINECS | N/A |
| CAS No. | 42978-43-8 | Density | 1.303g/cm3 |
| PSA | 26.30000 | LogP | 5.80030 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C23H16O2 | Boiling Point | 527.8°C at 760 mmHg |
| Molecular Weight | 324.379 | Flash Point | 211.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6-Acetoxymethylbenzpyren; |
Article Data | 1 |
6-Acetoxymethylbenzo(a)pyrene Chemical Properties
IUPAC Name: benzo[a]pyren-6-ylmethyl acetate
Empirical Formula: C23H16O2
Molecular Weight: 324.3719g/mol
Structure of 6-Acetoxymethylbenzo(a)pyrene (CAS NO.42978-43-8):
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Index of Refraction: 1.798
Molar Refractivity: 106.26 cm3
Molar Volume: 248.9 cm3
Polarizability: 42.12×10-24cm3
Surface Tension: 60.6 dyne/cm
Density: 1.303 g/cm3
Flash Point: 211.1 °C
Enthalpy of Vaporization: 80.25 kJ/mol
Boiling Point: 527.8 °C at 760 mmHg
Vapour Pressure: 3.14E-11 mmHg at 25°C
Classification Code: Mutation data, Tumor data
Canonical SMILES: CC(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51
InChI: InChI=1S/C23H16O2/c1-14(24)25-13-21-18-8-3-2-7-17(18)19-11-9-15-5-4-6-16-10-12-20(21)23(19)22(15)16/h2-12H,13H2,1H3
InChIKey: AIXMKWLMVGVTGG-UHFFFAOYSA-N
6-Acetoxymethylbenzo(a)pyrene Toxicity Data With Reference
| 1. | mmo-sat 1 nmol/plate | PAACA3 Proceedings of the American Association for Cancer Research. 24 (1983),93. | ||
| 2. | dnd-rat:lym 500 mg/L | CBINA8 Chemico-Biological Interactions. 25 (1979),35. | ||
| 3. | dnd-mam:lym 500 mg/L | CBINA8 Chemico-Biological Interactions. 25 (1979),35. |
6-Acetoxymethylbenzo(a)pyrene Safety Profile
Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
6-Acetoxymethylbenzo(a)pyrene Specification
6-Acetoxymethylbenzo(a)pyrene , its cas register number is 42978-43-8. It also can be called 6-Acetyloxymethylbenzo(a)pyrene ; BRN 2476599 ; Benzo(a)pyrene-6-methanol, acetate (ester) ; CCRIS 2789 . 6-Acetoxymethylbenzo(a)pyrene (CAS NO.42978-43-8) is flammable, and the storage environment should be ventilate, low-temperature and dry.
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