2,6-Dimethylnaphthalene

Synonyms: 2,6-DMN, "2,6-Dimethyl-naphthalene", "2,6-dimethylnaphthalen", "2.6-dimethylnaphthalene", "2,6-dimethyl-naphtalene"

Source: 2,6-Dimethylnaphthalene is found in oil, coal and tar deposits and are produced by gasoline operating vehicles, and it is a starting material for high-performance polyester fibers and films.

Identifiers:

IUPAC Name: 2,6-dimethylnaphthalene
CAS Number: 28804-88-8
PubChem ID: 11387
InChiKey: YGYNBBAUIYTWBF-UHFFFAOYSA-N
Canonical SMILES: CC1=CC2=C(C=C1)C=C(C=C2)C

Structural Properties:

Molecular Formula: C₁₂H₁₂
Molecular Weight: 156,220

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 12

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Evidence Supporting This Chemical as an Emerging Contaminant

Baldwin, A. K., Corsi, S. R., De Cicco, L. A., Lenaker, P. L., Lutz, M. A., Sullivan, D. J., & Richards, K. D. (2016). Organic contaminants in Great Lakes tributaries: Prevalence and potential aquatic toxicity. Science of the Total Environment, 554, 42-52.

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