dihexyl phthalate

Synonyms: "di-n-hexyl phthalate", "phthalic acid, dihexyl ester", "1,2-benzenedicarboxylic acid, dihexyl ester", "di-n-hexylphthalate", "N-dihexyl phthalate", "di(n-hexyl)phthalate", "dihexyl 1,2-benzenedicarboxylate", "bis(n-hexyl) phthalate"

Source: dihexyl phthalate is used as a plasticiser and can be found in many different products including tool handles and PVC flooring.

Identifiers:

IUPAC Name: dihexyl benzene-1,2-dicarboxylate
CAS Number: 84-75-3
PubChem ID: 6786
InChiKey: KCXZNSGUUQJJTR-UHFFFAOYSA-N
Canonical SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC

Structural Properties:

Molecular Formula: C₂₀H₃₀O₄
Molecular Weight: 334.450

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
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

Lu KY, Tseng FW, Wu CJ, Liu PS. 2004. Suppression by phthalates of the calcium signaling of human nicotinic acetylcholine receptors in human neuroblastoma SH-SY5Y cells. Toxicology 200(2-3):113-121.

Saillenfait AM, Gallissot F, Sabate JP. 2009. Differential developmental toxicities of di-n-hexyl phthalate and dicyclohexyl phthalate administered orally to rats. J Appl Toxicol 29(6):510-521.

Saillenfait AM, Sabate JP, Gallissot F. 2009. Effects of in utero exposure to di-n-hexyl phthalate on the reproductive development of the male rat. Reprod Toxicol 28(4):468-476.