diphenyl phthalate

Synonyms: "phenyl phthalate", "diphenylphthalate", "phthalic acid diphenyl ester", "1,2-benzenedicarboxylic acid, diphenyl ester", "diphenyl benzene-1,2-dicarboxylate", "1,2-benzenedicarboxylic acid, 1,2-diphenyl ester", "1,2-diphenyl benzene-1,2-dicarboxylate", "diphenyl-phthalate", "phthalic acid diphenyl".

Source: diphenyl phthalate is often added into polyvinyl chloride (PVC) as plasticizerto modify its processibility.

Identifiers:

IUPAC Name: diphenyl benzene-1,2-dicarboxylate
CAS Number: 84-62-8
PubChem ID: 6778
InChiKey: DWNAQMUDCDVSLT-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3

Structural Properties:

Molecular Formula: C₂₀H₁₄O₄
Molecular Weight: 318.328

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 24

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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

Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G. 2004. Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Analytical & Bioanalytical Chemistry 378(3):664-669. DOI: 10.1007/s00216-003-2251-0. URL: https://link.springer.com/article/10.1007/s00216-003-2251-0.