6993 <common-name>GUAIACOL PROPIONATE</common-name> <description>GUAIACOL PROPIONATE (C10H12O3) is an organic compound with an average molecular weight of 180.20 g/mol. GUAIACOL PROPIONATE belongs to the phenol esters, a class of benzenoids within the organic compounds. In industrial applications, this substance is utilized as a nutrient and a flavouring agent.</description> <cas>7598-60-9</cas> <pubchem-id>348502</pubchem-id> <chemical-formula>C10H12O3</chemical-formula> <weight>180.2</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">2016-05-19T02:07:37Z</created-at> <updated-at type="dateTime">2026-08-17T23:49:34Z</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>CCC(=O)OC1=CC=CC=C1OC</moldb-smiles> <moldb-formula>C10H12O3</moldb-formula> <moldb-inchi>InChI=1S/C10H12O3/c1-3-10(11)13-9-7-5-4-6-8(9)12-2/h4-7H,3H2,1-2H3</moldb-inchi> <moldb-inchikey>UYXMBPVOGLUKIV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">180.203</moldb-average-mass> <moldb-mono-mass type="decimal">180.078644246</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.9</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>CHEM005888</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00125868</susdat-id> <iupac>(2-methoxyphenyl) propanoate</iupac> <moldb-polar-surface-area>35.53</moldb-polar-surface-area> <moldb-refractivity>48.28050000000002</moldb-refractivity> <moldb-polarizability>18.783035695478972</moldb-polarizability> <moldb-rotatable-bond-count>4</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>-4.90015122417521</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.07</moldb-alogps-logp> <moldb-alogps-logs>-2.50</moldb-alogps-logs> <moldb-alogps-solubility>5.65e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenol esters</klass> <subklass nil="true"/> <paper-count type="integer">27</paper-count> <sync-id>CED0009676</sync-id> <structure-inchikey>UYXMBPVOGLUKIV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000800000000000000000000000000400000000002000000000000000000000000080000000000000000000000000000000000000000000000000000000000000020000000000500000000000000000000000000010000000040000000000000200000000200000000000000000000000000000040000000800000000000000000000000000100000000000000000000000000000000000000000000082000002000000000000000000000000000000080000000000000000000000000000000000000000000000040000200000000000000000000000000000040000000000400000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAKAAAAAMECAAoAAAAAwIIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBo AAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQIACgAAAADAgYAYAAA AAEDCwABAAECAAIDKAICBCAEBSAFBmgMBgdoDAcIaAwICWgMCQpoDAoLIAsM AAoFaAxCAQAAAAYFCgkIBwYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:38Z</structure-indexed-at> </compound>