4-hexylresorcinol

Synonyms: "hexylresorcinol", "p-hexylresorcinol", "4-hexylbenzene-1,3-diol", "antascarin", "adrover", "ascaricid", "ascarinol", "caprokol"

Source: 4-hexylresorcinol is a food additive for use in uncooked crustacea. This chemical also has anesthetic, antiseptic and antihelminthic properties.

Identifiers:

IUPAC Name: 4-hexylbenzene-1,3-diol
CAS Number: 136-77-6
PubChem ID: 3610
InChiKey: WFJIVOKAWHGMBH-UHFFFAOYSA-N
Canonical SMILES: CCCCCCC1=C(C=C(C=C1)O)O

Structural Properties:

Molecular Formula: C12H18O2
Molecular Weight: 194,2701

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 14

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

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


Arnott DG, Doniach I. 1952. The effect of compounds allied to resorcinol upon the uptake of radioactive iodine by the thyroid of the rat. Biochem J 50(4):473-479.

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