butyl paraben

Synonyms: butylparaben, "butyl 4-hydroxybenzoate", "butyl paraben", "butyl p-hydroxybenzoate", "n-butyl p-hydroxybenzoate", "butoben", "nipabutyl", "butyl chemosept"

Source: butyl Paraben is an antimicrobial agent used in cosmetic products.

Identifiers:

IUPAC Name: butyl 4-hydroxybenzoate
CAS Number: 94-26-8
PubChem ID: 7184
InChiKey: QFOHBWFCKVYLES-UHFFFAOYSA-N
Canonical SMILES: CCCCOC(=O)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₁H₁₄O₃
Molecular Weight: 194.23

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 14

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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.

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