propyl paraben

Synonyms: propylparaben, "propyl 4-hydroxybenzoate", "nipazol", "4-hydroxybenzoic acid propyl ester", "betacide P", "nipasol P"

Source: propyl paraben is one of several parabens that has been used for decades as a preservative in personal care products and packaged foods.

Identifiers:

IUPAC Name: propyl 4-hydroxybenzoate
CAS Number: 94-13-3
PubChem ID: 7175
InChiKey: QELSKZZBTMNZEB-UHFFFAOYSA-N
Canonical SMILES: CCCOC(=O)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₀H₁₂O₃
Molecular Weight: 180.2

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 13

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

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure