6145 <common-name>BETA-CARYOPHYLLENE ALCOHOL ACETATE</common-name> <description>BETA-CARYOPHYLLENE ALCOHOL ACETATE is an organic compound with the formula C17H28O2 and an average molecular weight of 264.40 g/mol. BETA-CARYOPHYLLENE ALCOHOL ACETATE belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, this substance is used as a fragrance.</description> <cas>57082-24-3</cas> <pubchem-id>62127</pubchem-id> <chemical-formula>C17H28O2</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">2016-05-19T01:57:34Z</created-at> <updated-at type="dateTime">2026-04-02T22:28:57Z</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)OC12CCCC(C)(C1)CCC1C2CC1(C)C</moldb-smiles> <moldb-formula>C17H28O2</moldb-formula> <moldb-inchi>InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3</moldb-inchi> <moldb-inchikey>SJDDHMSVZMBJPH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">264.403</moldb-average-mass> <moldb-mono-mass type="decimal">264.20893014</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>55961</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>CHEM005040</chemdb-id> <dsstox-id>DTXSID2052233</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00013309</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>75.65339999999999</moldb-refractivity> <moldb-polarizability>31.506900093034833</moldb-polarizability> <moldb-rotatable-bond-count>2</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>-7.012032380511575</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>4.06</moldb-alogps-logp> <moldb-alogps-logs>-5.59</moldb-alogps-logs> <moldb-alogps-solubility>6.81e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Carboxylic acid derivatives</subklass> <paper-count type="integer">49</paper-count> <sync-id>CED0023483</sync-id> <structure-inchikey>SJDDHMSVZMBJPH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000010000000000020000000000000000000000000000080000010040000000000000000000000000000020000001000100000000000000000000000040010000010000000000000000000000020000000000000000000000500810000048000000000000000000000040280000000000000000800000000020000000000004200000000000000000000000000000000000004000000000000000000000000000000000000000000000000004000000000000000000000000004000000000000000000000001000000400000000000810000400000000080000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFQAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCCAAoAAAAAwIGACAAAAAEBgBgAAAAAgIGAGAAAAACAgYAYAAA AAICBgAgAAAABAYAYAAAAAEDBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBg AAAAAwEGAGAAAAADAQYAYAAAAAICBgAgAAAABAYAYAAAAAEDBgBgAAAAAQML AAEAAQIoAgEDIAMEAAQFAAUGAAYHAAcIAAgJAAgKAAgLAAsMAAwNAA0OAA4P AA8QABARABASAAoEABANAA4EAEIDAAAABgUGBwgKBAcLCAoEDg0MBA8QDQ4X BAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:13Z</structure-indexed-at> </compound>