diethyl phthalate

Synonyms: "anozol", "ethyl phthalate", "phthalic acid diethyl ester", "neantine", "phthalol", "solvanol", "palatinol A", "placidol E"

Source: diethyl phthalate is used as a plasticizer in a wide variety of consumer products, including plastic packaging films, cosmetic formulations, and toiletries, as well as in medical treatment tubing.

Identifiers:

IUPAC Name: diethyl benzene-1,2-dicarboxylate
CAS Number: 84-66-2
PubChem ID: 6781
InChiKey: FLKPEMZONWLCSK-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC

Structural Properties:

Molecular Formula: C12H14O4
Molecular Weight: 222,2372

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16

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3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

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


Harris CA, Henttu P, Parker MG, Sumpter JP. 1997. The estrogenic activity of phthalate esters in vitro. Environ Health Perspect 105(8):802-811.
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.
Pereira C, Mapuskar K, Rao CV. 2006. Chronic toxicity of diethyl phthalate in male Wistar rats - A dose-response study. Regul Toxicol Pharmacol 45(2):169-177.

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Keywords


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