8558 <common-name>SANTALYL ACETATE</common-name> <description>SANTALYL ACETATE (C17H26O2) is an organic compound with an average molecular weight of 262.39 g/mol. SANTALYL ACETATE belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. In industrial applications, it is utilized as a fragrance as well as a flavouring and nutrient.</description> <cas>1323-00-8</cas> <pubchem-id>524257</pubchem-id> <chemical-formula>C17H26O2</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">2016-05-19T02:25:51Z</created-at> <updated-at type="dateTime">2026-04-04T20:03:34Z</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(=O)OCC(C)=CCCC1(C)C2CCC(C2)C1=C</moldb-smiles> <moldb-formula>C17H26O2</moldb-formula> <moldb-inchi>InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3</moldb-inchi> <moldb-inchikey>RCFGRZLLBGMERD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">262.3871</moldb-average-mass> <moldb-mono-mass type="decimal">262.193280076</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>CHEM007453</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00044617</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>78.37859999999999</moldb-refractivity> <moldb-polarizability>31.333241902815377</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>-7.004991092645082</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>5.07</moldb-alogps-logp> <moldb-alogps-logs>-4.95</moldb-alogps-logs> <moldb-alogps-solubility>2.93e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Sesquiterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0031571</sync-id> <structure-inchikey>RCFGRZLLBGMERD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000800100000000000010000000000000000001000400000000000000000000000000000000200800004000000000000000000100040000000080000000000000000000080000000028000000000300000000000000000000000010010000000002000000000000020000020000000000000000000000500010000048000000000000000000000000000000000800000000000000000020008800000004000000000200080000000000000000000002000000000400000000000000000000000000000000000000000000000000200000000000000000000000000000000000000008000000000400000000000000080000880000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFAAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCCAAoAAAAAwIGAGAAAAACAgYAKAAAAAMEBgBgAAAAAQMGAGgA AAADAwEGAGAAAAACAgYAYAAAAAICBgAgAAAABAYAYAAAAAEDBgBgAAAAAwEG AGAAAAACAgYAYAAAAAICBgBgAAAAAwEGAGAAAAACAgYAKAAAAAMEBgBoAAAA AwICCwABAAECKAIBAyADBAAEBQAFBgAFBwgCBwgACAkACQoACgsACgwADA0A DQ4ADg8ADxAADxEAERIIAhEKABAMAEICAAAABQoMEA8RBQ0MEA8OFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:03:22Z</structure-indexed-at> </compound>