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: 156,609

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

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Miller D, Wheals BB, Beresford N, Sumpter JP. 2001. Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay. Environ Health Perspect 109(2):133-138.
Nishihara T, Nishikawa J, Kanayama T, Dakeyama F, Saito K, Imagawa M, Takatori S, Kitagawa Y, Hori S, Utsumi H. 2000. Estrogenic activities of 517 chemicals by yeast two-hybrid assay. Journal of Health Science 46(4):282-298.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer