diisobutyl adipate

Synonyms: "isobutyl adipate", "DIBA", "Ftaflex DIBA", "bis(2-methylpropyl) hexanedioate", "plasthall DIBA", "adipic acid bis(2-methylpropyl) ester", "diisobutyl hexanedioate", "adipic Acid Diisobutyl ester", "hexanedioic acid, diisobutyl ester", "hexanedioic acid, 1,6-bis(2-methylpropyl) ester".

Source: diisobutyl adipate is a solvent. It is used in the cosmetic industry to dissolve the active ingredients and UV absorbers in sunscreens and moisturizer, among others.

Identifiers:

IUPAC Name: bis(2-methylpropyl) hexanedioate
CAS Number: 141-04-8
PubChem ID: 8831
InChiKey: RDOFJDLLWVCMRU-UHFFFAOYSA-N
Canonical SMILES: CC(C)COC(=O)CCCCC(=O)OCC(C)C

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.