catechol

Synonyms: "pyrocatechol", "1,2-benzenediol", "1,2-dihydroxybenzene", "pyrocatechin", "2-hydroxyphenol", "o-benzenediol", "benzene-1,2-diol"

Source: catechol is found in plants including onions, apples and crude sugar beets.

Identifiers:

IUPAC Name: benzene-1,2-diol
CAS Number: 120-80-9
PubChem ID: 289
InChiKey: YCIMNLLNPGFGHC-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)O)O

Structural Properties:

Molecular Formula: C6H6O2
Molecular Weight: 110,1106

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 8

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

GENE-TOX

CTD (Comparative Toxicogenomics Database)

ITER (International Toxicity Estimates for Risk)

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


Lindsay RH, Hill JB, Gaitan E, Cooksey RC, Jolley RL. 1992. Antithyroid effects of coal-derived pollutants. J Toxicol Environ Health 37(4):467-481.

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