dibutyl adipate

Synonyms: "dibutyl adipate", "dibutyl hexanedioate", "butyl adipate", "di-n-butyl adipate", "hexanedioic acid, dibutyl ester", "Cetiol B", "Polycizer W 260", "Adipic acid dibutyl ester", "Dibutyl adipinate", "adipic acid di-n-butyl ester".

Source: Dibutyl adipate is used as a plasticizer and as solvent in nail polish.

Identifiers:

IUPAC Name: dibutyl hexanedioate
CAS Number: 105-99-7
PubChem ID: 7784
InChiKey: XTJFFFGAUHQWII-UHFFFAOYSA-N
Canonical SMILES: CCCCOC(=O)CCCCC(=O)OCCCC

Structural Properties:

Molecular Formula: C₁₄H₂₆O₄
Molecular Weight: 258.358

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 18

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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

Fang H, Tong WD, Branham WS, Moland CL, Dial SL, Hong HX, Xie Q, Perkins R, Owens W, Sheehan DM. 2003. Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor. Chem Res Toxicol 16(10):1338-1358. DOI: 10.1021/tx030011g. URL: http://pubs.acs.org/doi/abs/10.1021/tx030011g.