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

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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.