tributyl phosphate

Synonyms: "tri-n-butyl phosphate", "tributylphosphate", "butyl phosphate", "phosphoric acid tributyl ester", "disflamoll TB", "tributoxyphosphine oxide", "tri-N-butylphosphate".

Source: Tributyl phosphate is used as a solvent, plasticizer, antifoaming agent, metal extractant and flame retardant.

Identifiers:

IUPAC Name: tributyl phosphate
CAS Number: 126-73-8
PubChem ID: 31357
InChiKey: STCOOQWBFONSKY-UHFFFAOYSA-N
Canonical SMILES: CCCCOP(=O)(OCCCC)OCCCC

Structural Properties:

Molecular Formula: C₁₂H₂₇O₄P
Molecular Weight: 266.318

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)
3D structure (.mol2)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kojima H, Takeuchi S, Itoh T, Iida M, Kobayashi S, Yoshida T. 2013. In vitro endocrine disruption potential of organophosphate flame retardants via human nuclear receptors. Toxicology 314(1):76-83. DOI: 10.1016/j.tox.2013.09.004. URL: https://www.sciencedirect.com/science/article/pii/S0300483X13002412.