Tri-P-cresyl phosphate

Synonyms: Tri-p-tolyl phosphate, "78-32-0", "Tris(4-methylphenyl) phosphate", "Tpcp", "Phosphoric acid, tris(4-methylphenyl) ester", "Phosphoric acid, tri-p-tolyl ester", "Phosphoric Acid Tricresyl Ester", "UNII-5149JKD098", "HSDB 2559", "NSC 2181", "Phosphoric acid, tri(4-tolyl)ester", "EINECS 201-105-6", "Phosphoric acid, tris(methylphenyl) ester", "tris-p-tolyl phosphate", "4-methylphenyl di4-methylphenyl phosphate"

Source: Tricresyl phosphate is used commercially as a flame retardant and plasticizer in lacquers.

Identifiers:

IUPAC Name: tris(4-methylphenyl) phosphate
CAS Number: 78-32-0
PubChem ID: 6529
InChiKey: BOSMZFBHAYFUBJ-UHFFFAOYSA-N
Canonical SMILES: CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C

Structural Properties:

Molecular Formula: C₂₁H₂₁O₄P
Molecular Weight: 368,400

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 26

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

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.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure