4-chloro-3,5-dimethylphenol

Synonyms: chloroxylenol, "dettol", "4-chloro-3,5-xylenol", "benzytol", "p-chloro-m-xylenol", "ottasept", "desson"

Source: 4-chloro-3,5-dimethylphenol is an antimicrobial chemical compound used to control bacteria, algae, and fungi in adhesives, emulsions, paints, and wash tanks. It is also commonly used in antibacterial soaps and household antiseptics.

Identifiers:

IUPAC Name: 4-chloro-3,5-dimethylphenol
CAS Number: 88-04-0
PubChem ID: 2723
InChiKey: OSDLLIBGSJNGJE-UHFFFAOYSA-N
Canonical SMILES: CC1=CC(=CC(=C1Cl)C)O

Structural Properties:

Molecular Formula: C₈H₉ClO
Molecular Weight: 156.61

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 10

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