butyl benzyl phthalate

Synonyms: butylbenzyl phthalate, "benzyl butyl phthalate", "sicol", "palatinol BB", "unimoll BB", "santicizer 160", "sicol 160"

Source: butyl benzyl phthalate is mostly used as a plasticizer for PVC (polyvinyl chloride).

Identifiers:

IUPAC Name: 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate
CAS Number: 85-68-7
PubChem ID: 2347
InChiKey: IRIAEXORFWYRCZ-UHFFFAOYSA-N
Canonical SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

Structural Properties:

Molecular Formula: C₁₉H₂₀O₄
Molecular Weight: 312.36

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 23

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Evidence Supporting This Chemical as an Emerging Contaminant

Hoenickea, R.,Orosa, D., Orama, J., Taberskib, K. (2007). Adapting an ambient monitoring program to the challenge of managing emerging pollutants in the San Francisco Estuary. Environmental Research 105, 132?144.

External Links

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2D-structure

3D-structure