42588 <common-name>linalyl pentanoate</common-name> <description>Linalyl pentanoate is an organic compound with the formula C15H26O2 and an average molecular weight of 238.37 g/mol. It is classified as a lipid and lipid-like molecule. Specifically, linalyl pentanoate belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. In industrial applications, this substance is utilized as a flavouring and nutrient.</description> <cas>10471-96-2</cas> <pubchem-id>112045</pubchem-id> <chemical-formula>C15H26O2</chemical-formula> <weight>238.37</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">2016-05-27T01:30:54Z</created-at> <updated-at type="dateTime">2026-08-19T12:51:41Z</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>CCCCC(=O)OC(C)(CCC=C(C)C)C=C</moldb-smiles> <moldb-formula>C15H26O2</moldb-formula> <moldb-inchi>InChI=1S/C15H26O2/c1-6-8-11-14(16)17-15(5,7-2)12-9-10-13(3)4/h7,10H,2,6,8-9,11-12H2,1,3-5H3</moldb-inchi> <moldb-inchikey>BYTYEUINJPKZIB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">238.371</moldb-average-mass> <moldb-mono-mass type="decimal">238.193280077</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</logp> <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>CHEM041483</chemdb-id> <dsstox-id>DTXSID10864276</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00052364</susdat-id> <iupac>3,7-dimethylocta-1,6-dien-3-yl pentanoate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>73.187</moldb-refractivity> <moldb-polarizability>29.486475672294652</moldb-polarizability> <moldb-rotatable-bond-count>9</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>-7.060435636633888</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>4.72</moldb-alogps-logp> <moldb-alogps-logs>-4.58</moldb-alogps-logs> <moldb-alogps-solubility>6.33e-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">79</paper-count> <sync-id>CED0020483</sync-id> <structure-inchikey>BYTYEUINJPKZIB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002000010000000000000000000000010000000000000002000000000000000000000008804000000000000000000100000000000000000000000000010000000000000020000000000300000000000000000000000020010000000000000000000000000000000000000000000000000000400000000040000000000000000400000000000008000000000000000000400000000000080000000000000200002001000000000800000000000400000000000000000008020200008000000000040000000000000000000000000000000000010000000000000000000000000000010400400000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIGACAA AAAEBgBgAAAAAQMGAGAAAAACAgYAYAAAAAICBgBoAAAAAwMBBgAoAAAAAwQG AGAAAAABAwYAYAAAAAEDBgBoAAAAAwMBBgBoAAAAAwICCwABAAECAAIDAAME AAQFKAIEBiAGBwAHCAAHCQAJCgAKCwALDAgCDA0ADA4ABw8ADxAIAkIAAAAA FwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:11:20Z</structure-indexed-at> </compound>