101732 <common-name>3-Hydroxy-2,2-dimethylhexyl butyrate</common-name> <description>3-Hydroxy-2,2-dimethylhexyl butyrate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the formula C12H24O3 and an average molecular weight of 216.32 g/mol.</description> <cas>85508-25-4</cas> <pubchem-id>16205623</pubchem-id> <chemical-formula>C12H24O3</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">2026-04-05T08:47:43Z</created-at> <updated-at type="dateTime">2026-04-05T08:47:43Z</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>CCCC(O)C(C)(C)COC(=O)CCC</moldb-smiles> <moldb-formula>C12H24O3</moldb-formula> <moldb-inchi>InChI=1/C12H24O3/c1-5-7-10(13)12(3,4)9-15-11(14)8-6-2/h10,13H,5-9H2,1-4H3</moldb-inchi> <moldb-inchikey>MILAEHMPRCLZIF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">216.321</moldb-average-mass> <moldb-mono-mass type="decimal">216.1725446</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>CHEM097625</chemdb-id> <dsstox-id>DTXSID701006070</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00065044</susdat-id> <iupac nil="true"/> <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">0</paper-count> <sync-id>CED0118843</sync-id> <structure-inchikey>MILAEHMPRCLZIF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000040100800000002000000010800000000000000000100000000000000002000000000000000000000000800000000000002000000001000000000000000000000000000000000000000020000004000100000000001000000000000020010000200000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000040000022000000000000000080000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000080000000000000000000000c00000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>1000002001020e0088000000010820000000040001050000002000400200000c4002001000800000000001000080000004200084008c10010000443000a0400084110400000004000090102000620100000004804000003240000420000009000c200002004002000000000040300000200080100005e0041108000000100002404400080c400008080002008808000811140012444014020004080000008080004100000000400000000840012c201002c0000180010800100002000840020000000084040000020080000005010280000400000200400004000000080000000000081000000000000000000010200400100010004000000000010050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`������� ������`�������`�������`�������(�������(�������(�������`�������`�������`������������������������������� � �(� ��� � ��B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:40:01Z</structure-indexed-at> </compound>