<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">7505</id>
  <title nil="true"/>
  <common-name>P-MENTH-1-ENE-9-AL</common-name>
  <description>P-MENTH-1-ENE-9-AL belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C10H16O and an average molecular weight of 152.23 g/mol. It is categorized within the superclass of lipids and lipid-like molecules. In industrial applications, P-MENTH-1-ENE-9-AL is utilized as a nutrient and a flavouring agent.</description>
  <cas>29548-14-9</cas>
  <pubchem-id>520440</pubchem-id>
  <chemical-formula>C10H16O</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <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 nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-19T02:13:15Z</created-at>
  <updated-at type="dateTime">2026-04-04T22:46:02Z</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 nil="true"/>
  <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>CC(C=O)C1CCC(C)=CC1</moldb-smiles>
  <moldb-formula>C10H16O</moldb-formula>
  <moldb-inchi>InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3</moldb-inchi>
  <moldb-inchikey>UMEJBWOWZDRULR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">152.2334</moldb-average-mass>
  <moldb-mono-mass type="decimal">152.120115134</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM006400</chemdb-id>
  <dsstox-id>DTXSID00865494</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00049045</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>17.07</moldb-polar-surface-area>
  <moldb-refractivity>47.4687</moldb-refractivity>
  <moldb-polarizability>18.353727730832208</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic>16.13819852674685</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-7.0207702282698525</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>2.80</moldb-alogps-logp>
  <moldb-alogps-logs>-2.39</moldb-alogps-logs>
  <moldb-alogps-solubility>6.20e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0061155</sync-id>
  <structure-inchikey>UMEJBWOWZDRULR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000008000001000000000000000000000000000000000008000000000000000001000000000000000000000020000000000000000000000000000000008000000000000004000000200000000000020000000000200000000000000000000000000000000001000000000800000000000020000000000000000000800100000000040000000000000000000000000000000000000000000008000000000000000000004000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000002000200000000004000000000000000000000040000000000000000000000000300010000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:02:54Z</structure-indexed-at>
</compound>
