6701 <common-name>ETHYL 2-ETHYLBUTYRATE</common-name> <description>ETHYL 2-ETHYLBUTYRATE is an organic compound with the formula C8H16O2 and an average molecular weight of 144.21 g/mol. ETHYL 2-ETHYLBUTYRATE belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. Within the broader classification of lipids and lipid-like molecules, it is utilized industrially as a nutrient and as a flavouring agent.</description> <cas>2983-38-2</cas> <pubchem-id>76326</pubchem-id> <chemical-formula>C8H16O2</chemical-formula> <weight>144.21</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">2016-05-19T02:04:15Z</created-at> <updated-at type="dateTime">2026-08-24T17:10:03Z</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>CCOC(=O)C(CC)CC</moldb-smiles> <moldb-formula>C8H16O2</moldb-formula> <moldb-inchi>InChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3</moldb-inchi> <moldb-inchikey>MJGSLNIPTRPYJV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">144.2114</moldb-average-mass> <moldb-mono-mass type="decimal">144.115029756</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>12619</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>CHEM005596</chemdb-id> <dsstox-id>DTXSID00183963</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022008</susdat-id> <iupac>ethyl 2-ethylbutanoate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>40.564800000000005</moldb-refractivity> <moldb-polarizability>16.896732781969433</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-7.070806022653267</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>2.65</moldb-alogps-logp> <moldb-alogps-logs>-1.81</moldb-alogps-logs> <moldb-alogps-solubility>2.21e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">40</paper-count> <sync-id>CED0024822</sync-id> <structure-inchikey>MJGSLNIPTRPYJV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000010000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000220000000000100000000000000000000000000010000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000000000002000000000000000000000002000000000000004000000000400008000004000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>2000000e000800000000002000000000000104000000200040000000044000000000800000000001000080000004200084008c00010000443000a0000080110000000000000000002000620100000000004000002200000020000009000c200000000002000000000040200000200080100004600411080000001000020044000004400000080000008800000010040002444000000004080000008000004100000000400000000800002c001002c0000000000800000000000000000000010000040000000080000000010000000400000000400000000000080000000000080000000000000000000000000000000000004000000000000050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������������� ��(�������������� �B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:29Z</structure-indexed-at> </compound>