6474 <common-name>DIISOAMYL DISULFIDE</common-name> <description>DIISOAMYL DISULFIDE has a chemical formula of C8H9NO and an average molecular weight of 135.16 g/mol. DIISOAMYL DISULFIDE belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. In industrial applications, the compound serves as a nutrient and a flavouring agent. It has been recorded as being released from or found in three sources related to electrical and electronic equipment, specifically hybrid capacitors, fixed capacitors and their manufacture, and conductors or conductive bodies characterized by the conductive materials.</description> <cas>2051-04-9</cas> <pubchem-id>7417</pubchem-id> <chemical-formula>C8H9NO</chemical-formula> <weight>135.16</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">2016-05-19T02:01:19Z</created-at> <updated-at type="dateTime">2026-08-25T05:44:41Z</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)C1=CC(N)=CC=C1</moldb-smiles> <moldb-formula>C8H9NO</moldb-formula> <moldb-inchi>InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3</moldb-inchi> <moldb-inchikey>CKQHAYFOPRIUOM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">135.1632</moldb-average-mass> <moldb-mono-mass type="decimal">135.068413915</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21106518</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>CHEM005369</chemdb-id> <dsstox-id>DTXSID0021830</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010817</susdat-id> <iupac>1-(3-aminophenyl)ethanone</iupac> <moldb-polar-surface-area>43.09</moldb-polar-surface-area> <moldb-refractivity>41.16120000000001</moldb-refractivity> <moldb-polarizability>14.480007725727562</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>16.144102938108126</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.3885800011827523</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.30</moldb-alogps-logp> <moldb-alogps-logs>-1.77</moldb-alogps-logs> <moldb-alogps-solubility>2.28e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0039898</sync-id> <structure-inchikey>CKQHAYFOPRIUOM-UHFFFAOYSA-N</structure-inchikey> 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