101042 <common-name>2-Methylbutyl decanoate</common-name> <description>2-Methylbutyl decanoate is an organic compound with the formula C15H30O2 and an average molecular weight of 242.40 g/mol. 2-Methylbutyl decanoate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This compound is found in or released from one recorded source: food, food processing & cookware, specifically in the preparation of wine or sparkling wine.</description> <cas>68067-33-4</cas> <pubchem-id>3017826</pubchem-id> <chemical-formula>C15H30O2</chemical-formula> <weight>242.4</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">2026-04-05T08:15:33Z</created-at> <updated-at type="dateTime">2026-08-19T13:09:33Z</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>CCCCCCCCCC(=O)OCC(C)CC</moldb-smiles> <moldb-formula>C15H30O2</moldb-formula> <moldb-inchi>InChI=1/C15H30O2/c1-4-6-7-8-9-10-11-12-15(16)17-13-14(3)5-2/h14H,4-13H2,1-3H3</moldb-inchi> <moldb-inchikey>JRJPVFOFQVUVLG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">242.403</moldb-average-mass> <moldb-mono-mass type="decimal">242.2245802</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.9</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>CHEM096935</chemdb-id> <dsstox-id>DTXSID90987513</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00064188</susdat-id> <iupac>2-methylbutyl decanoate</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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">229</paper-count> <sync-id>CED0014616</sync-id> <structure-inchikey>JRJPVFOFQVUVLG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000200000010000000000000000000000000000000001002000000000000000000000000000000000000000000000000000000000000000000000000010100000000000020000004000100000000400000000000000020010000000000000000000000000000000000000000000000000000000000000040000000000000000000010000000000000000000000000000001000000000000000000000000000002001000000000008000000000000000000000000800008000000000000000000000000000000000000400040000000000000000000000000000000000000000000010400000000000000000000200000000000</structure-fingerprint> <structure-pattern-fingerprint>2000020e000800000001002000000000000105000000200040020000044002000000800000000001000000000004200084000c10010000443000a00000c4110000000000000080102000420100000000004000001240000420000009000c2000000000020000000000442000002000801000046004110800000010000200440000044000080800000088080008111400024440040200040800000080000041000000004000000008400064201002c0000008010800000000000040020000000004040000000080000000000200000400000000400000000000080000000000080000000000000000000000200000100010804000000000000050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`������������������������������� � (� � ���� � �� �����B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:37Z</structure-indexed-at> </compound>