46909 <common-name>Plastic additive 22 CRS</common-name> <description nil="true"/> <cas>65447-77-0</cas> <pubchem-id>22946613</pubchem-id> <chemical-formula>C17H31NO4</chemical-formula> <weight>313.4</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">2016-06-03T13:42:22Z</created-at> <updated-at type="dateTime">2026-08-19T22:17:23Z</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>COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1</moldb-smiles> <moldb-formula>C17H31NO4</moldb-formula> <moldb-inchi>InChI=1S/C17H31NO4/c1-13(19)7-8-15(20)22-10-9-18-16(2,3)11-14(21-6)12-17(18,4)5/h14H,7-12H2,1-6H3</moldb-inchi> <moldb-inchikey>CTJXKCPBMVLOQI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">313.438</moldb-average-mass> <moldb-mono-mass type="decimal">313.225308482</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>18939131</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>CHEM045804</chemdb-id> <dsstox-id>DTXSID8044254</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>BfG,Schüsener 2015</stoff-ident-origin> <stoff-ident-id>SI00009031</stoff-ident-id> <susdat-id>NS00008636</susdat-id> <iupac>2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate</iupac> <moldb-polar-surface-area>55.84</moldb-polar-surface-area> <moldb-refractivity>86.46579999999999</moldb-refractivity> <moldb-polarizability>36.03503128571573</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>17.537916900529698</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.54900294080068</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.48</moldb-alogps-logp> <moldb-alogps-logs>-2.54</moldb-alogps-logs> <moldb-alogps-solubility>9.00e-01 g/l</moldb-alogps-solubility> </compound>