methyl paraben

Synonyms: methylparaben, "methyl 4-hydroxybenzoate", "methyl p-hydroxybenzoate", "nipagin", "aseptoform", "maseptol", "metaben", "methab"

Source: methyl paraben is used as an anti-microbial agent in hair products, including gels and shampoos. It is also used as a preservative in mascara, eye liner, eye shadow and toothpaste among other personal care and cosmetic products.

Identifiers:

IUPAC Name: methyl 4-hydroxybenzoate
CAS Number: 99-76-3
PubChem ID: 7456
InChiKey: LXCFILQKKLGQFO-UHFFFAOYSA-N
Canonical SMILES: COC(=O)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₈H₈O₃
Molecular Weight: 152.15

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 11

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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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2D-structure

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