12912 <common-name>Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate</common-name> <description>Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate is an organic compound with the formula C12H22O2 and an average molecular weight of 198.31 g/mol. Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, this compound is used as a fragrance. It has been identified in nine recorded sources across various environments and product categories. Within household cleaning and consumer products, it is found in bleaching agents, cigar cigarettes, and other smoking requisites. It is associated with food, food processing, and cookware, specifically in food contact materials and fermentation processes for beer. In the sector of electrical and electronic equipment, it is present in discharge lamps and fixed capacitors and their manufacture. Additionally, the compound is found in drinking water and water supply systems, as well as in indoor air. Recorded routes of exposure to this chemical include inhalation, oral ingestion, and touch.</description> <cas>32210-23-4</cas> <pubchem-id>36081</pubchem-id> <chemical-formula>C12H22O2</chemical-formula> <weight>198.3</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">2016-05-19T03:45:04Z</created-at> <updated-at type="dateTime">2026-08-18T20:43:59Z</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>CC(=O)OC1CCC(CC1)C(C)(C)C</moldb-smiles> <moldb-formula>C12H22O2</moldb-formula> <moldb-inchi>InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3</moldb-inchi> <moldb-inchikey>MBZRJSQZCBXRGK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.306</moldb-average-mass> <moldb-mono-mass type="decimal">198.161979948</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>33188</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>CHEM011807</chemdb-id> <dsstox-id>DTXSID1027974</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00005293</susdat-id> <iupac>(4-tert-butylcyclohexyl) acetate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>56.60030000000001</moldb-refractivity> <moldb-polarizability>23.74003030011785</moldb-polarizability> <moldb-rotatable-bond-count>3</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>-7.002573002059698</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.61</moldb-alogps-logp> <moldb-alogps-logs>-3.90</moldb-alogps-logs> <moldb-alogps-solubility>2.49e-02 g/l</moldb-alogps-solubility> <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">125</paper-count> <sync-id>CED0017730</sync-id> <structure-inchikey>MBZRJSQZCBXRGK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2100000000004000000000000000000000010000000000000000000000000000000000800020000000000000000000000000004000000000000000000000000000000020000000000100000000000000000000000000010000000000000000000000000000020000000000000000000000500010000040000000008000000200000000000000000000000000020000000000000000000004000000000000000000002000000000000000000000000800000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������`�������`�������`�������`�������`�������`������� ������`�������`�������`�����������(��� ���������������� �� � �� �� � ��B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:04:56Z</structure-indexed-at> </compound>