Synonyms: "chlorocresol", "4-chloro-m-cresol", "parol", "p-chloro-m-cresol", "baktol", "candaseptic"

Source: 4-chloro-3-methylphenol is as a pesticide, bactericide and preserving agent.


IUPAC Name: 4-chloro-3-methylphenol
CAS Number: 59-50-7
PubChem ID: 1732
Canonical SMILES: CC1=C(C=CC(=C1)O)Cl

Structural Properties:

Molecular Formula: C7H7ClO
Molecular Weight: 142.583

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 9


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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

Ghisari M, Bonefeld-Jorgensen EC. 2009. Effects of plasticizers and their mixtures on estrogen receptor and thyroid hormone functions. Toxicol Lett 189(1):67-77.

Graves TK, Hinkle PM. 2003. Ca(2+)-induced Ca(2+) release in the pancreatic beta-cell: direct evidence of endoplasmic reticulum Ca(2+) release. Endocrinology 144(8):3565-3574.

Hauser CJ, Kannan KB, Deitch EA, Itagaki K. 2005. Non-specific effects of 4-chloro-m-cresol may cause calcium flux and respiratory burst in human neutrophils. Biochem Biophys Res Commun 336(4):1087-1095.

Klegeris A, Choi HB, McLarnon JG, McGeer PL. 2007. Functional ryanodine receptors are expressed by human microglia and THP-1 cells: Their possible involvement in modulation of neurotoxicity. J Neurosci Res 85(10):2207-2215.

Korner W, Hanf V, Schuller W, Bartsch H, Zwirner M, Hagenmaier H. 1998. Validation and application of a rapid in vitro assay for assessing the estrogenic potency of halogenated phenolic chemicals. Chemosphere 37(9-12):2395-2407.

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