6486 <common-name>DIMENTHYL GLUTARATE</common-name> <description>DIMENTHYL GLUTARATE (C25H44O4) is an organic compound with an average molecular weight of 408.62 g/mol. DIMENTHYL GLUTARATE belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. In industrial applications, this compound serves as a nutrient and a flavouring agent.</description> <cas>406179-71-3</cas> <pubchem-id>583664</pubchem-id> <chemical-formula>C25H44O4</chemical-formula> <weight>408.6</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">2016-05-19T02:01:31Z</created-at> <updated-at type="dateTime">2026-08-22T05:36:48Z</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>CC(C)C1CCC(C)CC1OC(=O)CCCC(=O)OC1CC(C)CCC1C(C)C</moldb-smiles> <moldb-formula>C25H44O4</moldb-formula> <moldb-inchi>InChI=1S/C25H44O4/c1-16(2)20-12-10-18(5)14-22(20)28-24(26)8-7-9-25(27)29-23-15-19(6)11-13-21(23)17(3)4/h16-23H,7-15H2,1-6H3</moldb-inchi> <moldb-inchikey>IVFWZYOGAYVLRF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">408.623</moldb-average-mass> <moldb-mono-mass type="decimal">408.323959897</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.2</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>CHEM005381</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00122382</susdat-id> <iupac>bis(5-methyl-2-propan-2-ylcyclohexyl) pentanedioate</iupac> <moldb-polar-surface-area>52.60000000000001</moldb-polar-surface-area> <moldb-refractivity>116.04419999999996</moldb-refractivity> <moldb-polarizability>49.922095573990134</moldb-polarizability> <moldb-rotatable-bond-count>10</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>-6.74127513660324</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>6.19</moldb-alogps-logp> <moldb-alogps-logs>-6.51</moldb-alogps-logs> <moldb-alogps-solubility>1.25e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0047423</sync-id> <structure-inchikey>IVFWZYOGAYVLRF-UHFFFAOYSA-N</structure-inchikey> 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