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Cas Database |
| Name |
6-Acetoxy-benzo(a)pyrene |
EINECS | N/A |
| CAS No. | 53555-67-2 | Density | 1.327g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H14O2 | Boiling Point | 528.9°C at 760 mmHg |
| Molecular Weight | 310.3454 | Flash Point | 159.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 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 |
N/A |
Article Data | 11 |
6-Acetoxy-benzo(a)pyrene Chemical Properties
IUPAC Name: benzo[a]pyren-6-yl acetate
Empirical Formula: C22H14O2
Molecular Weight: 310.3454g/mol
Structure of 6-Acetoxy-benzo(a)pyrene (CAS NO.53555-67-2):
.bmp)
Index of Refraction: 1.819
Molar Refractivity: 101.64 cm3
Molar Volume: 233.7 cm3
Polarizability: 40.29×10-24cm3
Surface Tension: 61.6 dyne/cm
Density: 1.327 g/cm3
Flash Point: 159.7 °C
Enthalpy of Vaporization: 80.38 kJ/mol
Boiling Point: 528.9 °C at 760 mmHg
Vapour Pressure: 2.85E-11 mmHg at 25°C
Classification Code: Mutation data
Canonical SMILES: CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51
InChI: InChI=1S/C22H14O2/c1-13(23)24-22-18-8-3-2-7-16(18)17-11-9-14-5-4-6-15-10-12-19(22)21(17)20(14)15/h2-12H,1H3
InChIKey: PSUANBYSDSSXCT-UHFFFAOYSA-N
6-Acetoxy-benzo(a)pyrene Toxicity Data With Reference
| 1. | otr-ham:emb 2500 µg/L | CBINA8 Chemico-Biological Interactions. 13 (1976),105. | ||
| 2. | dnd-ham:emb 1250 µg/L/18H | CBINA8 Chemico-Biological Interactions. 13 (1976),105. | ||
| 3. | dns-ham:emb 10 µg/L/18H | CBINA8 Chemico-Biological Interactions. 13 (1976),105. |
6-Acetoxy-benzo(a)pyrene Safety Profile
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
6-Acetoxy-benzo(a)pyrene Specification
6-Acetoxy-benzo(a)pyrene , its cas register number is 53555-67-2. It also can be called 3-06-00-03810 (Beilstein Handbook Reference) ; BRN 2058877 ; Benzo(a)pyrene-6-yl acetate ; CCRIS 731 ; NSC 31001 .When heated to decomposition it emits acrid smoke and irritating fumes.
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