347135 <common-name>[4-(2-methylbutyl)phenyl] 4-nonylbenzoate</common-name> <description>[4-(2-methylbutyl)phenyl] 4-nonylbenzoate is a chemical compound with the formula C27H38O2. It has an average molecular weight of 394.60 g/mol.</description> <cas>100545-69-5</cas> <pubchem-id>3034957</pubchem-id> <chemical-formula>C27H38O2</chemical-formula> <weight>394.6</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">2026-08-31T10:48:48Z</created-at> <updated-at type="dateTime">2026-08-31T10:48:48Z</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>CCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC</moldb-smiles> <moldb-formula>C27H38O2</moldb-formula> <moldb-inchi>InChI=1S/C27H38O2/c1-4-6-7-8-9-10-11-12-23-13-17-25(18-14-23)27(28)29-26-19-15-24(16-20-26)21-22(3)5-2/h13-20,22H,4-12,21H2,1-3H3</moldb-inchi> <moldb-inchikey>UUAXXIIHIPWNOU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">394.2871805</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>10.1</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>CHEM343028</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[4-(2-methylbutyl)phenyl] 4-nonylbenzoate</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>Phenylpropanoids and polyketides</superklass> <klass>Depsides and depsidones</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0297480</sync-id> <structure-inchikey>UUAXXIIHIPWNOU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000180000000000000004000000000000000080000000000000000100200020020000000000000000000000000000000000000010000000000000000000000000001010200000000002000000000010000020000000000000000002001000000000000402000000000000000000000000000200000000000000004004000000000000000000001000000000080000000000000100000000000000000000000000000000008400000000000000a000000000010000000000000800000000000000000000000000000000000004000000040000220000000000000000000000000000040000000010400000000000000000000200000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`������@(������@h�������@h�������@(������@h�������@h��������(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������`�������`�������`�������`�������`������������������������������� � h� �h���h�� h� �h��� ��(��� �� ��h���h���h���h���h����������������� h���h�B����� � �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:45:42Z</structure-indexed-at> </compound>