2-Ethylhexyldiphenyl phosphate

Synonyms: 2-Ethylhexyldiphenyl phosphate, "Phosphoric acid, 1-ethylhexyl diphenyl ester", "octan-3-yl diphenyl phosphate"

Source: 2-Ethylhexyldiphenyl Phosphate is a flame retardant plasticizer.

Identifiers:

IUPAC Name: octan-3-yl diphenyl phosphate
CAS Number: 109925-03-3
PubChem ID: 135395
InChiKey: GCTMVWJHICUMRV-UHFFFAOYSA-N
Canonical SMILES: CCCCCC(CC)OP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

Structural Properties:

Molecular Formula: C₂₀H₂₇O₄P
Molecular Weight: 362,400

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 25

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Evidence Supporting This Chemical as an Emerging Contaminant

Blum, K. M., Andersson, P. L., Ahrens, L., Wiberg, K., & Haglund, P. (2018). Persistence, mobility and bioavailability of emerging organic contaminants discharged from sewage treatment plants. Science of the Total Environment, 612, 1532-1542.

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