7429 <common-name>LINALYL ISOVALERATE</common-name> <description>LINALYL ISOVALERATE is an organic compound with the formula C15H26O2 and an average molecular weight of 238.37 g/mol. LINALYL ISOVALERATE belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. In industrial applications, this compound is used as a fragrance, as well as a flavouring and nutrient.</description> <cas>1118-27-0</cas> <pubchem-id>240119</pubchem-id> <chemical-formula>C15H26O2</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">2016-05-19T02:12:28Z</created-at> <updated-at type="dateTime">2026-04-04T19:58:52Z</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)CC(=O)OC(C)(CCC=C(C)C)C=C</moldb-smiles> <moldb-formula>C15H26O2</moldb-formula> <moldb-inchi>InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3</moldb-inchi> <moldb-inchikey>WCDGWAIZRYMVOW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">238.3657</moldb-average-mass> <moldb-mono-mass type="decimal">238.193280076</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>CHEM006324</chemdb-id> <dsstox-id>DTXSID5047160</dsstox-id> <toxcast-id>47160</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00044426</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>73.13459999999999</moldb-refractivity> <moldb-polarizability>28.741129331059227</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-7.0632879049033885</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>4.83</moldb-alogps-logp> <moldb-alogps-logs>-4.46</moldb-alogps-logs> <moldb-alogps-solubility>8.26e-03 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">3</paper-count> <sync-id>CED0032345</sync-id> <structure-inchikey>WCDGWAIZRYMVOW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000080000000000800000003000010000000000000000000000010000000000001000000000000000000000000000804000000000000000000100000000000000000000000000000000000000000020000000000300000000000000000000000000010000000000000000000000000000000000000000000000000000400000000040000000000000000400000000000008000000000000000000400000002002080000000000000200002000000000000000000000000400000000000000000000020200008000000000040000000000000000000000000000000000010000000000000100000000000000000400400000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIGACAA AAAEBgBgAAAAAQMGAGAAAAACAgYAYAAAAAICBgBoAAAAAwMBBgAoAAAAAwQG AGAAAAABAwYAYAAAAAEDBgBoAAAAAwMBBgBoAAAAAwICCwABAAECAAEDAAME AAQFKAIEBiAGBwAHCAAHCQAJCgAKCwALDAgCDA0ADA4ABw8ADxAIAkIAAAAA FwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:53Z</structure-indexed-at> </compound>