8559 <common-name>SANTALYL PHENYLACETATE</common-name> <description>SANTALYL PHENYLACETATE is an organic compound with the formula C23H30O2 and an average molecular weight of 338.49 g/mol. SANTALYL PHENYLACETATE belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. It is classified within the superclass of lipids and lipid-like molecules. In industrial contexts, this compound is utilized as a nutrient and a flavouring agent.</description> <cas>1323-75-7</cas> <pubchem-id>73557527</pubchem-id> <chemical-formula>C23H30O2</chemical-formula> <weight>338.5</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">2016-05-19T02:25:51Z</created-at> <updated-at type="dateTime">2026-08-22T01:30:23Z</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(COC(=O)CC1=CC=CC=C1)=CCCC1(C)C2CCC(C2)C1=C</moldb-smiles> <moldb-formula>C23H30O2</moldb-formula> <moldb-inchi>InChI=1S/C23H30O2/c1-17(16-25-22(24)14-19-9-5-4-6-10-19)8-7-13-23(3)18(2)20-11-12-21(23)15-20/h4-6,8-10,20-21H,2,7,11-16H2,1,3H3</moldb-inchi> <moldb-inchikey>FIZFZQIBGCHOJY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">338.491</moldb-average-mass> <moldb-mono-mass type="decimal">338.224580206</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.2</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>CHEM007454</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00045833</susdat-id> <iupac>[2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>103.1005</moldb-refractivity> <moldb-polarizability>40.06943772358066</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>-7.097414071946646</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>6.16</moldb-alogps-logp> <moldb-alogps-logs>-5.97</moldb-alogps-logs> <moldb-alogps-solubility>3.67e-04 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">1</paper-count> <sync-id>CED0037378</sync-id> <structure-inchikey>FIZFZQIBGCHOJY-UHFFFAOYSA-N</structure-inchikey> 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