76656 <common-name>2,6-Diisopropyl-3,4-xylenol</common-name> <description>2,6-Diisopropyl-3,4-xylenol belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the formula C14H22O1 and an average molecular weight of 206.33 g/mol. It is further classified under the superclass of lipids and lipid-like molecules.</description> <cas>60834-85-7</cas> <pubchem-id>6454048</pubchem-id> <chemical-formula>C14H22O1</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">2026-04-04T06:57:09Z</created-at> <updated-at type="dateTime">2026-04-04T06:57:09Z</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(C)C1=C(O)C(C(C)C)=C(C)C(C)=C1</moldb-smiles> <moldb-formula>C14H22O1</moldb-formula> <moldb-inchi>InChI=1S/C14H22O/c1-8(2)12-7-10(5)11(6)13(9(3)4)14(12)15/h7-9,15H,1-6H3</moldb-inchi> <moldb-inchikey>HNBFCBIEQFLF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">206.329</moldb-average-mass> <moldb-mono-mass type="decimal">206.167065</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4956388</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>CHEM072549</chemdb-id> <dsstox-id>DTXSID70209684</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00034479</susdat-id> <iupac>3,4-dimethyl-2,6-di(propan-2-yl)phenol</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>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0124238</sync-id> <structure-inchikey>HNBFCBIEQFLNAF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000001000000000000240000000000000000000200000000600080000001000000000000000000000000000000000000000000000000000000000000000000000000000000200000000400000000000000000000000000000000002000000010000000000000000100000000000100000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080100000000000000000000000000000000001000000000000000002000002000000000000000000000002000000000000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>500002000102820080000040010820000000140001052000003420408200000c44020010128000000000410800808000042100a4008c32010000443000a04000c4110400020006000090100010620200000005805100133240000622000001000c2804070048820000000000c4100001200680100001c0041108000002110002004000084c5002080804020008080008191c0012440014820000080000400080004100001000400002000948013c211002c00000894308401000421008400210000000840400001201800000140102800400000002005000050002000800010010100a1000010000000000031192200000102010004000020000000052000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBkAoAAAAAwQGQCgAAAADBAgAaAAAAAMBAQZAKAAAAAMEBgBg AAAAAwEGAGAAAAABAwYAYAAAAAEDBkAoAAAAAwQGAGAAAAABAwZAKAAAAAME BgBgAAAAAQMGQGgAAAADAwELAAEAAQIAAQMAAwRoDAQFIAQGaAwGBwAHCAAH CQAGCmgMCgsACgxoDAwNAAwOaAwOA2gMQgEAAAAGAw4MCgYEFwQAAAAAAAAA Fg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:35Z</structure-indexed-at> </compound>