60329 <common-name>3-(3,4,5-Trimethoxy benzylidene)-2,4-pentanedione</common-name> <description>3-(3,4,5-Trimethoxy benzylidene)-2,4-pentanedione is an organic compound with the formula C15H18O5 and an average molecular weight of 278.30 g/mol. 3-(3,4,5-Trimethoxy benzylidene)-2,4-pentanedione belongs to the anisoles, a subclass of phenol ethers within the organic compounds. It is further classified under the superclass of benzenoids. In industrial applications, this compound serves several roles, functioning as an antioxidant, a humectant, and a chelating agent.</description> <cas>945558-97-4</cas> <pubchem-id>67772502</pubchem-id> <chemical-formula>C15H18O5</chemical-formula> <weight>278.3</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">2026-03-26T19:41:10Z</created-at> <updated-at type="dateTime">2026-08-28T13:22:00Z</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)C(=CC1=CC(=C(C(=C1)OC)OC)OC)C(=O)C</moldb-smiles> <moldb-formula>C15H18O5</moldb-formula> <moldb-inchi>InChI=1S/C15H18O5/c1-9(16)12(10(2)17)6-11-7-13(18-3)15(20-5)14(8-11)19-4/h6-8H,1-5H3</moldb-inchi> <moldb-inchikey>ATNSJLDBJQDEBF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">278.115424</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>35308432</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>CHEM056222</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00001479</susdat-id> <iupac>3-[(3,4,5-trimethoxyphenyl)methylidene]pentane-2,4-dione</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass>Anisoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0151748</sync-id> <structure-inchikey>ATNSJLDBJQDEBF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000000000000000400000042000000000000400000000000000000000000000000000000000000000000000000000000000000000000000080020000400000300000000000000000000000000010000000040000000100000000000000000000000000000000000400000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000400000000000000000000080000000000000010000000000000000000000000000000010002000000000000000000008000000000040000800000400000000000020000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������h�������@(������@h�������@(������@(������@(������@h��������(�������`�������(�������`�������(�������`�������(�������(�������`�����������(��� ��(��� ��h���h���h�� h� h� � ���� ���� ����� ��(���� �h�B������ �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:14:14Z</structure-indexed-at> </compound>