6998 <common-name>GUAIACYL PHENYLACETATE</common-name> <description>GUAIACYL PHENYLACETATE is an organic compound with the formula C15H14O3 and an average molecular weight of 242.27 g/mol. GUAIACYL PHENYLACETATE belongs to the phenol esters, a class of benzenoids within the organic compounds. In industrial applications, the compound is utilized as a fragrance, as well as a flavouring and nutrient.</description> <cas>4112-89-4</cas> <pubchem-id>61331</pubchem-id> <chemical-formula>C15H14O3</chemical-formula> <weight>242.27</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">2016-05-19T02:07:39Z</created-at> <updated-at type="dateTime">2026-08-19T09:55:42Z</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>COC1=CC=CC=C1OC(=O)CC1=CC=CC=C1</moldb-smiles> <moldb-formula>C15H14O3</moldb-formula> <moldb-inchi>InChI=1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3</moldb-inchi> <moldb-inchikey>KNVYLIIBQXVDKC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">242.2699</moldb-average-mass> <moldb-mono-mass type="decimal">242.094294314</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>55267</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>CHEM005893</chemdb-id> <dsstox-id>DTXSID1063306</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012508</susdat-id> <iupac>(2-methoxyphenyl) 2-phenylacetate</iupac> <moldb-polar-surface-area>35.53</moldb-polar-surface-area> <moldb-refractivity>68.37550000000002</moldb-refractivity> <moldb-polarizability>25.647072366819465</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.9004704146808065</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.44</moldb-alogps-logp> <moldb-alogps-logs>-4.64</moldb-alogps-logs> <moldb-alogps-solubility>5.60e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenol esters</klass> <subklass nil="true"/> <paper-count type="integer">1</paper-count> <sync-id>CED0111912</sync-id> <structure-inchikey>KNVYLIIBQXVDKC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000800000000000000000000000000400000000000000000040000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000100000000000000000000000000010000000040000000000000000040000200000000000000000100000000000040200000800000000000000000000000000100000000000000000000000000000000000000000000082000002000000000000000000000000000000080000000000000000000000000000000000000000000000040000220000000000000000000001000000040000000000400000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMB BkAoAAAAAwQIACgAAAADAgYAKAAAAAMECAAoAAAAAwIGAGAAAAACAgZAKAAA AAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBCwABAAECIAIDaAwDBGgMBAVoDAUGaAwGB2gMBwggCAkgCQooAgkLAAsM AAwNaAwNDmgMDg9oDA8QaAwQEWgMBwJoDBEMaAxCAgAAAAYCBwYFBAMGDQ4P EBEMFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:38Z</structure-indexed-at> </compound>