<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3914</id>
  <title>T3D3859</title>
  <common-name>Icaridin</common-name>
  <description>Icaridin is an exogenous organic compound with the formula C12H23NO3 and an average molecular weight of 229.32 g/mol. It exists as a solid at room temperature. Icaridin belongs to the piperidinecarboxylic acids and derivatives, a subclass of piperidines within the organic compounds. Also known as picaridin, KBR 3023, and by the INCI name hydroxyethyl isobutyl piperidine carboxylate, it is marketed under the trade names Bayrepel and Saltidin. This almost colorless and odorless compound functions as an insect repellent with broad efficacy against different insects and is used as an industrial biocide.

The compound has been recorded in five sources, including drinking water and water supply, as well as food, food processing and cookware specifically regarding the processing of meats. It is also found in building and construction materials such as tents or canopies, and electrical and electronic equipment including antennas and discharge lamps. The recorded route of exposure for icaridin is oral.

In terms of biological activity, icaridin has eight recorded protein targets. It acts as a ligand of C-C motif chemokine 2 (CCL2) and interacts with Cytochrome P450 2B6 (CYP2B6), Cytochrome P450 2C9 (CYP2C9), and Cytochrome P450 3A4 (CYP3A4), along with four other proteins.</description>
  <cas>119515-38-7</cas>
  <pubchem-id>125098</pubchem-id>
  <chemical-formula>C12H23NO3</chemical-formula>
  <weight>229.32</weight>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:52Z</created-at>
  <updated-at type="dateTime">2026-08-18T20:49:17Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB14074</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCC(C)OC(=O)N1CCCCC1CCO</moldb-smiles>
  <moldb-formula>C12H23NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3</moldb-inchi>
  <moldb-inchikey>QLHULAHOXSSASE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">229.3159</moldb-average-mass>
  <moldb-mono-mass type="decimal">229.167793607</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>1.61</logp>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL2104314</chembl-id>
  <chemspider-id>111359</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002820</chemdb-id>
  <dsstox-id>DTXSID0034227</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00008107</susdat-id>
  <iupac>butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate</iupac>
  <moldb-polar-surface-area>49.769999999999996</moldb-polar-surface-area>
  <moldb-refractivity>62.54420000000001</moldb-refractivity>
  <moldb-polarizability>26.160236513548416</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>15.923174449744579</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.3950034956817206</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>2.19</moldb-alogps-logp>
  <moldb-alogps-logs>-0.96</moldb-alogps-logs>
  <moldb-alogps-solubility>2.51e+01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Piperidines</klass>
  <subklass>Piperidinecarboxylic acids and derivatives</subklass>
  <paper-count type="integer">638</paper-count>
  <sync-id>CED0010139</sync-id>
  <structure-inchikey>QLHULAHOXSSASE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000100000004008000100000000000000000000000400000020000200000000010020000000000000000000000004000000000000000000040000000002000000000000000000000000000000000200000000001000000000000000000000000000100000080000000000000200000000201000000000000200000001008000000c0400000000000000000000000000000000000000000000000000000000000000004000000000100000000000000000000000000008000000000000000808000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000408002000000000000002000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC
AgYAYAAAAAMBBgBgAAAAAQMIACgAAAADAgYAKAAAAAMECAAoAAAAAwIHACgA
AAADAwYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAwEG
AGAAAAACAgYAYAAAAAICCABgAAAAAQELAAEAAQIAAgMAAgQABAUgBQYoAgUH
IAcIAAgJAAkKAAoLAAsMAAwNAA0OAA4PAAwHAEIBAAAABgcMCwoJCBcEAAAA
AAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:00:58Z</structure-indexed-at>
</compound>
