pyrene
benzo[def]phenanthrene
Identification
| Name | pyrene |
| IUPAC | pyrene |
| CAS Number | 129-00-0 |
| EINECS | 204-927-3 |
| FDA UNII | 9E0T7WFW93 |
| Molecular Formula | C16 H10 |
| Molecular Weight | 202.25570000 |
| MDL Number | MFCD00004136 |
| Nikkaji Number | J2.940H |
| Beilstein | 1307225 |
| XlogP3 | 4.90 (est) |
Regulatory
| FDA Mainterm (IAUFC) | 129-00-0 ; PYRENE |
Physical Properties
| Appearance | colorless solid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 151.20 °C. @ 760.00 mm Hg |
| Boiling Point | 404.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 4.500000 mmHg @ 25.00 °C. (est) |
| Flash Point | 336.00 °F. TCC ( 168.80 °C. ) (est) |
| logP (o/w) | 4.880 |
| Soluble in | water, 0.2249 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 514 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-rat LC50 170 mg/m3 |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | pharmaceuticals / chemical synthisis |
| Recommendation for pyrene usage levels up to | not for fragrance use. |
| Recommendation for pyrene flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
benzo[def]phenanthrene
methanimine
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