3-ethylphenol

Synonyms: "m-ethylphenol", "meta-ethylphenol", "1-ethyl-3-hydroxybenzene", "1-hydroxy-3-ethylbenzene"

Source: the general population may be exposed to 3-ethylphenol by inhalation of cigarette smoke or dermal contact with products containing this compound.

Identifiers:

IUPAC Name: 3-ethylphenol
CAS Number: 620-17-7
PubChem ID: 12101
InChiKey: HMNKTRSOROOSPP-UHFFFAOYSA-N
Canonical SMILES: CCC1=CC(=CC=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

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2D structure (.sdf)
3D structure (.sdf)
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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

GENE-TOX

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.

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Keywords


2D-structure

3D-structure

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