4-n-heptyloxyphenol

Synonyms: "4-(heptyloxy)phenol", "4-heptyloxyphenol", "p-(heptyloxy)phenol", "4-heptoxyphenol", "hydroquinone monoheptyl ether"

Source: 4-n-heptyloxyphenol is used as antioxidant, pharmaceutical, plasticizer, dyestuff, UV inhibitor, stabilizer for chlorinated hydrocarbons and ethyl cellulose, and inhibitor for acrylic monomers and acrylonitriles.

Identifiers:

IUPAC Name: 4-heptoxyphenol
CAS Number: 13037-86-0
PubChem ID: 25641
InChiKey: HZBABTUFXQLADL-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCOC1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₃H₂₀O₂
Molecular Weight: 208.297

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 15

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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.

Schultz TW, Sinks GD, Cronin MTD. 2000. Effect of substituent size and dimensionality on potency of phenolic xenoestrogens evaluated with a recombinant yeast assay. Environ Toxicol Chem 19(11):2637-2642.