Triisobutyl phosphate

Synonyms: Isobutyl phosphate, "tri-isobutyl phosphate", "Phosphoric acid, tris(2-methylpropyl) ester", "Tri-isobutylphosphate", "tris(2-methylpropyl) phosphate", "Phosphoric acid, triisobutyl ester", "2-methylpropyl di2-methylpropyl phosphate"

Source: Triisobutyl phosphate is a very strong, polar solvent. It is mainly used as an antifoaming agent.

Identifiers:

IUPAC Name: tris(2-methylpropyl) phosphate
CAS Number: 126-71-6
PubChem ID: 31355
InChiKey: HRKAMJBPFPHCSD-UHFFFAOYSA-N
Canonical SMILES: CC(C)COP(=O)(OCC(C)C)OCC(C)C

Structural Properties:

Molecular Formula: C₁₂H₂₇O₄P
Molecular Weight: 266,310

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 17

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Meffe, R., & de Bustamante, I. (2014). Emerging organic contaminants in surface water and groundwater: a first overview of the situation in Italy. Science of the Total Environment, 481, 280-295.

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