butyl benzyl phthalate

Synonyms: "butylbenzyl phthalate", "benzyl butyl phthalate", "sicol", "palatinol BB", "unimoll BB", "santicizer 160", "sicol 160"

Source: butyl benzyl phthalate is mostly used as a plasticizer for PVC (polyvinyl chloride).

Identifiers:

IUPAC Name: 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate
CAS Number: 85-68-7
PubChem ID: 2347
InChiKey: IRIAEXORFWYRCZ-UHFFFAOYSA-N
Canonical SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

Structural Properties:

Molecular Formula: C₁₉H₂₀O₄
Molecular Weight: 312.360

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 23

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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

Coldham NG, Dave M, Sivapathasundaram S, Mcdonnell DP, Connor C, Sauer MJ. 1997. Evaluation of a recombinant yeast cell estrogen screening assay. Environ Health Perspect 105(7):734-742.

Jobling S, Reynolds T, White R, Parker MG, Sumpter JP. 1995. A variety of environmentally persistent chemicals, including some phthalate plasticizers, are weakly estrogenic. Environ Health Perspect 103(6):582-587.

Kanayama T, Kobayashi N, Mamiya S, Nakanishi T, Nishikawa J. 2005. Organotin compounds promote adipocyte differentiation as agonists of the peroxisome proliferator-activated receptor [gamma]/retinoid X receptor pathway. Mol Pharmacol 67(3):766-774.

Lampen A, Zimnik S, Nau H. 2003. Teratogenic phthalate esters and metabolites activate the nuclear receptors PPARs and induce differentiation of F9 cells. Toxicol Appl Pharmacol 188(1):14-23, DOI: 10.1016/S0041-008X(03)00014-0.

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.