Synonyms: "p-ethylphenol", "1-ethyl-4-hydroxybenzene", "1-hydroxy-4-ethylbenzene", "4-hydroxyphenylethane", "para-ethylphenol", "4-ethyl-phenol"

Source: 4-ethylphenol is a volatile compound found in wines spoiled with the Brettanomyces wild yeast.


IUPAC Name: 4-ethylphenol
CAS Number: 123-07-9
PubChem ID: 31242
Canonical SMILES: CCC1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C8H10O
Molecular Weight: 122,1644

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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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

Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.
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.
Soto AM, Lin TM, Justicia H, Silvia RM, Sonnenschein C. 1992. An "in culture" bioassay to assess the estrogenicity of xenobiotics (E-SCREEN). In: Colborn T, Clement C, eds. Chemically Induced Alterations in Sexual and Functional Development: The Wildlife/Human Connection. Princeton, NJ: Princeton Scientific Publishing Co., Inc. p 295-309.
(Mehlman MA, ed. Advances in Modern Environmental Toxicology; 21).

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