p-xylene

Synonyms: "4-xylene", "1,4-dimethylbenzene", "p-methyltoluene", "para-xylene", "1,4-xylene", "p-dimethylbenzene", "p-xylol"

Source: p-xylene is the principal precursor to terephthalic acid and dimethyl terephthalate, both monomers used in the production of polyethylene terephthalate (PET).

Identifiers:

IUPAC Name: 1,4-xylene
CAS Number: 106-42-3
PubChem ID: 7809
InChiKey: URLKBWYHVLBVBO-UHFFFAOYSA-N
Canonical SMILES: CC1=CC=C(C=C1)C

Structural Properties:

Molecular Formula: C₈H₁₀
Molecular Weight: 106.165

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 8

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Brown-Woodman PD, Webster WS, Picker K, Huq F. 1994. In vitro assessment of individual and interactive effects of aromatic hydrocarbons on embryonic development of the rat. Reprod Toxicol 8(2):121-135.

Hass U, Lund SP, Simonsen L, Fries AS. 1995. Effects of prenatal exposure to xylene on postnatal development and behavior in rats. Neurotoxicol Teratol 17(3):341-349.