6778 <common-name>ETHYL METHYL-P-TOLYLGLYCIDATE</common-name> <description>ETHYL METHYL-P-TOLYLGLYCIDATE is an organic compound with the chemical formula C13H16O3 and an average molecular weight of 220.26 g/mol. ETHYL METHYL-P-TOLYLGLYCIDATE belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound is utilized as an industrial nutrient and as a flavouring agent.</description> <cas>74367-97-8</cas> <pubchem-id>5362581</pubchem-id> <chemical-formula>C13H16O3</chemical-formula> <weight>220.26</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">2016-05-19T02:05:03Z</created-at> <updated-at type="dateTime">2026-08-19T00:43:34Z</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>CCOC(=O)C1OC1(C)C1=CC=C(C)C=C1</moldb-smiles> <moldb-formula>C13H16O3</moldb-formula> <moldb-inchi>InChI=1S/C13H16O3/c1-4-15-12(14)11-13(3,16-11)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3</moldb-inchi> <moldb-inchikey>RJQNJKOCFCXTHZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">220.2643</moldb-average-mass> <moldb-mono-mass type="decimal">220.109944378</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</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>CHEM005673</chemdb-id> <dsstox-id>DTXSID00868304</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00059084</susdat-id> <iupac>ethyl 3-methyl-3-(4-methylphenyl)oxirane-2-carboxylate</iupac> <moldb-polar-surface-area>38.83</moldb-polar-surface-area> <moldb-refractivity>60.353300000000004</moldb-refractivity> <moldb-polarizability>24.28329767353079</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>-4.333337692270337</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.66</moldb-alogps-logp> <moldb-alogps-logs>-2.83</moldb-alogps-logs> <moldb-alogps-solubility>3.23e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Toluenes</subklass> <paper-count type="integer">125017</paper-count> <sync-id>CED0128922</sync-id> <structure-inchikey>RJQNJKOCFCXTHZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000010000000000000000000001000000000000002000000000000000000000000010000400000000000000008000000000002000008200000000000000000000020800004000100000000000000000000000000010000000000000000000000000000000000000000000000000000100000000248020000000000000000000000000000000000000000020000000020000000000000000000000000090000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000200000000000000080100000000000440000000000480000000000000000000000000000000</structure-fingerprint> 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<structure-indexed-at type="dateTime">2026-09-19T04:02:32Z</structure-indexed-at> </compound>