1-methyl-pyrene

Synonyms: "1,1-bis(4-hydroxyphenyl)cyclohexane", "2381-21-7", "1-Methyl pyrene", "methylpyrene".

Source: 1-Methylpyrene, an alkylated polycyclic aromatic hydrocarbon. Workers who process coal and petroleum products or where combustion processes are extensive may breathe in 1-methylpyrene from the air or have direct skin contact. The general population may be exposed by breathing in tobacco smoke, automobile exhaust or smoke from other sources such as grilling meat.

Identifiers:

IUPAC Name: 1-methylpyrene
CAS Number: 2381-21-7
PubChem ID: 16932
InChiKey: KBSPJIWZDWBDGM-UHFFFAOYSA-N
Canonical SMILES: CC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4

Structural Properties:

Molecular Formula: C₁₇H₁₂
Molecular Weight: 216.283

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 17

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Machala M, Vondracek J, Blaha L, Ciganek M, Neca JV. 2001. Aryl hydrocarbon receptor-mediated activity of mutagenic polycyclic aromatic hydrocarbons determined using in vitro reporter gene assay. Mutat Res 497(1-2):49-62. DOI: 10.1016/S1383-5718(01)00240-6. URL: https://www.sciencedirect.com/science/article/pii/S1383571801002406.