7422 <common-name>LINALYL ANTHRANILATE</common-name> <description>LINALYL ANTHRANILATE is an organic compound with the formula C17H23NO2 and an average molecular weight of 273.37 g/mol. LINALYL ANTHRANILATE belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. In industrial applications, the compound is utilized as a fragrance, as well as a flavouring and nutrient. It has been recorded in two sources related to household cleaning and consumer products, specifically within cigar cigarettes and tobacco smoke filters.</description> <cas>7149-26-0</cas> <pubchem-id>23535</pubchem-id> <chemical-formula>C17H23NO2</chemical-formula> <weight>273.37</weight> <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">2016-05-19T02:12:24Z</created-at> <updated-at type="dateTime">2026-08-19T21:14:27Z</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)=CCCC(C)(OC(=O)C1=CC=CC=C1N)C=C</moldb-smiles> <moldb-formula>C17H23NO2</moldb-formula> <moldb-inchi>InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3</moldb-inchi> <moldb-inchikey>WHIJSULEEDNKPD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">273.37</moldb-average-mass> <moldb-mono-mass type="decimal">273.172878985</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>22005</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 nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM006317</chemdb-id> <dsstox-id>DTXSID2025503</dsstox-id> <toxcast-id>25503</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012790</susdat-id> <iupac>3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate</iupac> <moldb-polar-surface-area>52.32000000000001</moldb-polar-surface-area> <moldb-refractivity>84.72899999999998</moldb-refractivity> <moldb-polarizability>31.100331085961578</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>19.37876963594049</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.177430928633392</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>4.15</moldb-alogps-logp> <moldb-alogps-logs>-4.17</moldb-alogps-logs> <moldb-alogps-solubility>1.87e-02 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">12</paper-count> <sync-id>CED0015798</sync-id> <structure-inchikey>WHIJSULEEDNKPD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002000010040000000000000000000010000000000000000000000000000000000000000804000000000000000000100020000000000000000000000000000000000000020000000000300000000000400000000000000010000000000000000000000000200000000000000000000000020400000000040000000800000000400000000001008000100000000000000400000000000080000000000000200080000000000000001004000000400000000000000000000020200000000000000040000000000000000000000000280000000010000000000000000000040000000000c00400000000000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFAAAAIABBgBgAAAAAQMGACgAAAAD BAYAYAAAAAEDBgBoAAAAAwMBBgBgAAAAAgIGAGAAAAACAgYAIAAAAAQGAGAA AAABAwgAKAAAAAMCBgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQHAGgAAAADAQIG AGgAAAADAwEGAGgAAAADAgILAAEAAQIAAQMIAgMEAAQFAAUGAAYHAAYIAAgJ IAkKKAIJCyALDGgMDA1oDA0OaAwOD2gMDxBoDBARIAYSABITCAIQC2gMQgEA AAAGCxAPDg0MFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:52Z</structure-indexed-at> </compound>