6299 <common-name>COCOA BUTTER SUBSTITUTE PRIMARILY FROM HIGH-OLEIC SAFFLOWER OR SUNFLOWER OIL</common-name> <description>COCOA BUTTER SUBSTITUTE PRIMARILY FROM HIGH-OLEIC SAFFLOWER OR SUNFLOWER OIL belongs to the triradylcglycerols, a subclass of glycerolipids within the organic compounds. With an average molecular weight of 889.46 g/mol, COCOA BUTTER SUBSTITUTE PRIMARILY FROM HIGH-OLEIC SAFFLOWER OR SUNFLOWER OIL is a heavy molecule. It has the chemical formula C57H108O6 and is classified as a lipid and lipid-like molecule. This compound is utilized industrially as a surface modifier. It is recorded as being found in food, food processing, and cookware, specifically in the preparation of malt.</description> <cas>2846-04-0</cas> <pubchem-id>13183956</pubchem-id> <chemical-formula>C57H108O6</chemical-formula> <weight nil="true"/> <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">2016-05-19T01:59:06Z</created-at> <updated-at type="dateTime">2026-04-04T22:57:41Z</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>CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</moldb-smiles> <moldb-formula>C57H108O6</moldb-formula> <moldb-inchi>InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,54H,4-26,28-29,31-53H2,1-3H3/b30-27-</moldb-inchi> <moldb-inchikey>RBLADLVPSYELCA-IKPAITLHSA-N</moldb-inchikey> <moldb-average-mass type="decimal">889.4638</moldb-average-mass> <moldb-mono-mass type="decimal">888.814591188</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM005194</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00049251</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>78.9</moldb-polar-surface-area> <moldb-refractivity>270.0129</moldb-refractivity> <moldb-polarizability>120.69696225445128</moldb-polarizability> <moldb-rotatable-bond-count>55</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-6.565867985366683</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>10.73</moldb-alogps-logp> <moldb-alogps-logs>-7.91</moldb-alogps-logs> <moldb-alogps-solubility>1.09e-05 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Glycerolipids</klass> <subklass>Triradylcglycerols</subklass> <paper-count type="integer">5686</paper-count> <sync-id>CED0001739</sync-id> <structure-inchikey>RBLADLVPSYELCA-IKPAITLHSA-N</structure-inchikey> 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