7529 <common-name>MENTHYL VALERATE</common-name> <description>MENTHYL VALERATE is an organic compound with the formula C15H28O2 and an average molecular weight of 240.38 g/mol. MENTHYL VALERATE 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 serves as a nutrient and a flavouring agent.</description> <cas>89-47-4</cas> <pubchem-id>78941</pubchem-id> <chemical-formula>C15H28O2</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">2016-05-19T02:13:31Z</created-at> <updated-at type="dateTime">2026-04-04T18:32:48Z</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)OC1CC(C)CCC1C(C)C</moldb-smiles> <moldb-formula>C15H28O2</moldb-formula> <moldb-inchi>InChI=1S/C15H28O2/c1-5-6-7-15(16)17-14-10-12(4)8-9-13(14)11(2)3/h11-14H,5-10H2,1-4H3</moldb-inchi> <moldb-inchikey>LCJPVSLESAPYMK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">240.3816</moldb-average-mass> <moldb-mono-mass type="decimal">240.20893014</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>CHEM006424</chemdb-id> <dsstox-id>DTXSID90893827</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00041245</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>70.42569999999999</moldb-refractivity> <moldb-polarizability>29.513076489093024</moldb-polarizability> <moldb-rotatable-bond-count>6</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>-7.042148038090602</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>5.10</moldb-alogps-logp> <moldb-alogps-logs>-4.92</moldb-alogps-logs> <moldb-alogps-solubility>2.88e-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">1</paper-count> <sync-id>CED0022895</sync-id> <structure-inchikey>LCJPVSLESAPYMK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000c00000000000000000000000000000000000000000040000401002000000000000000000000000000000000000000000000000000000000000000000000000010000000000400020000000200100000000000000000000000022010000000000000000000000000000020000000000000000000800100000000040000000000000000220000800000000000000400000000000000000000800040004000000000008002001000000000800000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000002000000000000000100000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIGAGAA AAADAQYAYAAAAAICBgBgAAAAAwEGAGAAAAABAwYAYAAAAAICBgBgAAAAAgIG AGAAAAADAQYAYAAAAAMBBgBgAAAAAQMGAGAAAAABAwsAAQABAgACAwADBAAE BSgCBAYgBgcABwgACAkACQoACQsACwwADA0ADQ4ADg8ADhAADQcAQgEAAAAG Bw0MCwkIFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:55Z</structure-indexed-at> </compound>