nonyl 4-hydroxybenzoate

Synonyms: "nonylparaben", "4-hydroxybenzoic acid n-nonyl ester", "nonyl p-hydroxybenzoate", "4-hydroxybenzoic acid nonyl ester", "nonyl4-Hydroxybenzoate", "p-hydroxybenzoic acid n-nonyl ester".

Source: Nonylparaben is formed from the activities of marine bacteria, and belongs to the group of parabens. These compounds are widely used as antimicrobial preservatives in food, cosmetics and pharmaceuticals.

Identifiers:

IUPAC Name: nonyl 4-hydroxybenzoate
CAS Number: 38713-56-3
PubChem ID: 586708
InChiKey: MBNSKHJDYXPONL-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCCCOC(=O)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₆H₂₄O₃
Molecular Weight: 264.365

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 19

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 Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Schultz TW, Sinks GD, Cronin MTD. 2000. Effect of substituent size and dimensionality on potency of phenolic xenoestrogens evaluated with a recombinant yeast assay. Environ Toxicol Chem 19(11):2637-2642. DOI: 10.1002/etc.5620191104. URL: http://onlinelibrary.wiley.com/doi/10.1002/etc.5620191104/abstract.