92511 <common-name>1-(3,4-Epoxy-4-methylhexyl)-1-methylallyl acetate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>112033</pubchem-id> <chemical-formula>C13H22O3</chemical-formula> <weight>226.31</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">2026-04-05T01:36:30Z</created-at> <updated-at type="dateTime">2026-08-19T02:37:48Z</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>CCC1(C)OC1CCC(C)(OC(C)=O)C=C</moldb-smiles> <moldb-formula>C13H22O3</moldb-formula> <moldb-inchi>InChI=1/C13H22O3/c1-6-12(4,15-10(3)14)9-8-11-13(5,7-2)16-11/h6,11H,1,7-9H2,2-5H3</moldb-inchi> <moldb-inchikey>ZQIIAKHOIHRGSM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">226.316</moldb-average-mass> <moldb-mono-mass type="decimal">226.1568946</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM088404</chemdb-id> <dsstox-id>DTXSID00884468</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00053941</susdat-id> <iupac>[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-1-en-3-yl] acetate</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Carboxylic acid derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0116359</sync-id> <structure-inchikey>ZQIIAKHOIHRGSM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10800000002000010000100000000040000000010000000000000082000000000000000000000000800000000000000000000000000000000000000000000000000000000000000020800000000300000000000000000000000000010000408000000000000000000000020000000000000000000000500010000048020000000000000000000000000000000000004010000000000020000000080000000001000200100000000000000000000000000400000000000000000000000000000000000000040000000000000000000000000000000000010000000000000200000000000000000400400000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`������� ������`�������`�������`������� ������`�������(�������(�������`�������(�������h��������h�������������������������������� �� � � ���� (�����������B������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:34:35Z</structure-indexed-at> </compound>