3-iodo-2-propynyl butylcarbamate

Synonyms: "iodopropynyl butylcarbamate", "iodocarb", "Woodlife", "3-iodo-2-propynyl butylcarbamate", "1-iodoprop-1-yn-3-yl N-n-butylcarbamate", "troysan KK-108A", "carbamic acid, butyl-, 3-iodo-2-propynyl ester", "butyl-3-iodo-2-propynylcarbamate", "3-Iodo-2-propynyl butyl carbamate", "3-iodoprop-2-ynyl N-butylcarbamate", "3-Iodo-2-propynyl-N-butylcarbamate".

Source: IPBC (3-iodo-2-propynyl-butylcarbamate) is a biocide which was originally mainly used for wood preservation, and which is now also used in cosmetics and cutting oils as a fungicide.

Identifiers:

IUPAC Name: 3-iodoprop-2-ynyl N-butylcarbamate
CAS Number: 55406-53-6
PubChem ID: 62097
InChiKey: WYVVKGNFXHOCQV-UHFFFAOYSA-N
Canonical SMILES: CCCCNC(=O)OCC#CI

Structural Properties:

Molecular Formula: C₈H₁₂INO₂
Molecular Weight: 281.093

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 12

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

Nakama A, Funasaka K, Shimizu M. 2007. Evaluation of estrogenic activity of organic biocides using ER-binding and YES assay. Food Chem Toxicol 45(9):1558-1564. DOI: 10.1016/j.fct.2007.02.014. URL: https://www.sciencedirect.com/science/article/pii/S0278691507000725?via%3Dihub.