Chrysene - CAS 218-01-9
Catalog: |
BB055601 |
Product Name: |
Chrysene |
CAS: |
218-01-9 |
Synonyms: |
1,2-Benzophenanthrene; 1,2-Benzphenanthrene; Benzo[a]phenanthrene; NSC 6175; [4]Phenacene |
IUPAC Name: | chrysene |
Description: | Occurs in coal tar. Is formed during distillation of coal, in very small amount during distillation or pyrolysis of many fats and oils. Chrysene is one of the basic polycyclic aromatic hydrocarbon (PAH) which is toxic environmental pollutant and consistently exposed to sunlight. However, little information is available on its photogenotoxicity. The objective of the present study was to analyze the effects of Chrysene, under environmental intensity of UVB (0.6 mW/cm2) in human skin epidermal cell line (HaCaT). |
Molecular Weight: | 228.29 |
Molecular Formula: | C18H12 |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43 |
InChI: | InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H |
InChI Key: | WDECIBYCCFPHNR-UHFFFAOYSA-N |
Boiling Point: | 838 °F at 760 mmHg |
Melting Point: | 250-255°C |
Density: | 1.274 at 68 °F |
Solubility: | Chloroform (Slightly), Ethyl Acetate (Very Slightly) |
Appearance: | White to Grey Solid |
Storage: | 20°C |
References: | Anderson, D., et al. Mutat. Res., 307, 261 (1994), Diamond, S., et al. Environ. Toxicol. Chem., 25, 3015 (2006), Fotakis, G., et al. Toxicol. Lett., 160, 171 (2006),. |
Stability: | Stable under recommended storage conditions |
GHS Hazard Statement: | H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity] |
Precautionary Statement: | P203, P273, P280, P281, P318, P391, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
31087746 | 20190901 | Aryl hydrocarbon receptor signaling, toxicity, and gene expression responses to mono-methylchrysenes | Environmental toxicology |
29630969 | 20180901 | Systematic developmental neurotoxicity assessment of a representative PAH Superfund mixture using zebrafish | Toxicology and applied pharmacology |
29094189 | 20180201 | Comparative developmental toxicity of a comprehensive suite of polycyclic aromatic hydrocarbons | Archives of toxicology |
27858113 | 20170701 | A framework for the use of single-chemical transcriptomics data in predicting the hazards associated with complex mixtures of polycyclic aromatic hydrocarbons | Archives of toxicology |
27283969 | 20170301 | Detection of exposure effects of mixtures of heavy polycyclic aromatic hydrocarbons in zebrafish embryos | Journal of applied toxicology : JAT |
26377693 | 20161001 | Comparative transcriptomic analyses to scrutinize the assumption that genotoxic PAHs exert effects via a common mode of action | Archives of toxicology |
27196671 | 20160901 | Inhibition of the formation of benzo[a]pyrene adducts to DNA in A549 lung cells exposed to mixtures of polycyclic aromatic hydrocarbons | Toxicology in vitro : an international journal published in association with BIBRA |
26621329 | 20160101 | Aryl hydrocarbon receptor-dependent up-regulation of the heterodimeric amino acid transporter LAT1 (SLC7A5)/CD98hc (SLC3A2) by diesel exhaust particle extract in human bronchial epithelial cells | Toxicology and applied pharmacology |
25500124 | 20150401 | The aryl hydrocarbon receptor-mediated and genotoxic effects of fractionated extract of standard reference diesel exhaust particle material in pulmonary, liver and prostate cells | Toxicology in vitro : an international journal published in association with BIBRA |
25433334 | 20150301 | Differential immunomodulatory responses to nine polycyclic aromatic hydrocarbons applied by passive dosing | Toxicology in vitro : an international journal published in association with BIBRA |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.093900383 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.093900383 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.7 |
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