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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
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Bulk Quote| Molecular Weight: | 202.25 g/mol |
| XLogP3: | 4.9 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptor Count: | 0 |
| Rotatable Bond Count: | 0 |
| Exact Mass: | 202.078250319 g/mol |
| Monoisotopic Mass: | 202.078250319 g/mol |
| Topological Polar Surface Area: | 0 Ų |
| Heavy Atom Count: | 16 |
| Formal Charge: | 0 |
| Complexity: | 217 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| Related Compounds |
| hazard signal | Warning |
| hazard classes and categories | |
| precautionary statement codes | P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 |
| hazard statements | |
| hazards summary | May cause photoirritant contact dermatitis. A skin irritant. An irritant. See POLYCYCLIC AROMATIC HYDROCARBONS. |
| toxicity summary | IDENTIFICATION AND USE: Pyrene is a solid. It can be used as an additive in electro-insulating oils as well as in epoxy resins for electrical insulation. Optical brighteners can be synthesized by reaction of pyrene with a complex of cyanuric chloride and aluminum chloride. Pyrene itself can serve as an electron donor to enhance the blackness in pencil leads. It is also used in biochemical research. HUMAN EXPOSURE AND TOXICITY: Exposure to the sun may provoke an irritating effect of pyrene on skin and lead to chronic skin discoloration. Pyrene, but not related polyaromatic hydrocarbons, enhanced basal transcription of the human and mouse IL-4 promoter. ANIMAL STUDIES: Dermal exposure to 10 g/kg was not lethal in mice. Inhalation caused pathological changes in hepatic, pulmonary, and intragastric tissue and a decrease in the number of neutrophils, leukocytes, and erythrocytes. No blastomogenic or carcinogenic effects were noted, except for an occasional papilloma. Some teratogenic effects were noted. Pyrene induced mutations and unscheduled DNA synthesis in some in vitro assays in mammalian cells. There is limited evidence that pyrene is active in short-term assays. ECOTOXICITY STUDIES: There was an interaction between pyrene and the thyroid system in fish. In rockfish, pyrene exposure impaired skeleton development via disrupting the proliferation of the chondrocytes. Embryonic exposure of zebrafish to low-level environmental pyrene disrupted normal cardiac development and altered expression of defective cardiac differentiation related genes. Pyrene might be a contributor to the behavioral and neuro-developmental toxicity in pufferfish. in the earthworm Lumbricus rubellus pyrene was found to cause a dose dependant decrease in lactate and the concentrations of the saturated fatty acids tetradecanoic, hexadecanoic and octadecanoic acid and an increase in production of the amino acids alanine, leucine, valine, isoleucine, lysine, tyrosine and methionine. It is proposed that this indicates impaired glucose metabolism, with an associated increase in fatty acid metabolism and changes in TCA cycle intermediates.The ability of PAH's to bind to blood proteins such as albumin allows them to be transported throughout the body. Many PAH's induce the expression of cytochrome P450 enzymes, especially CYP1A1, CYP1A2, and CYP1B1, by binding to the aryl hydrocarbon receptor or glycine N-methyltransferase protein. These enzymes metabolize PAH's into their toxic intermediates. The reactive metabolites of PAHs covalently bind to DNA and other cellular macromolecules, initiating mutagenesis and carcinogenesis. |
| symptoms | Acute exposure to PAHs causes irritation and inflammation of the skin and lung tissue. |
| health effects | PAHs are carcinogens and have been associated with the increased risk of skin, respiratory tract, bladder, stomach, and kidney cancers. They may also cause reproductive effects and depress the immune system. |
| carcinogen classification | IARC Carcinogenic Agent: Pyrene |
| carcinogen classification | IARC Carcinogenic Classes: Group 3: Not classifiable as to its carcinogenicity to humans |
| carcinogen classification | IARC Monographs: Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 Volume 92: Some Non-heterocyclic Polycyclic Aromatic Hydrocarbons and Some Related Exposures |
| carcinogen classification | default_key: 3, not classifiable as to its carcinogenicity to humans. |
