7847 <common-name>7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE</common-name> <description>7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE is an organic compound with the formula C11H14O and an average molecular weight of 162.23 g/mol. 7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. In industrial applications, this substance is used as a nutrient and a flavouring agent.</description> <cas>34545-88-5</cas> <pubchem-id>61935</pubchem-id> <chemical-formula>C11H14O</chemical-formula> <weight>162.23</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">2016-05-19T02:17:13Z</created-at> <updated-at type="dateTime">2026-08-18T10:30:21Z</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>CC1=CC2=CC(=O)CCC2CC1</moldb-smiles> <moldb-formula>C11H14O</moldb-formula> <moldb-inchi>InChI=1S/C11H14O/c1-8-2-3-9-4-5-11(12)7-10(9)6-8/h6-7,9H,2-5H2,1H3</moldb-inchi> <moldb-inchikey>NGSXTBFUMNXJDK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">162.2283</moldb-average-mass> <moldb-mono-mass type="decimal">162.10446507</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</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>CHEM006742</chemdb-id> <dsstox-id>DTXSID90865721</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00054974</susdat-id> <iupac>7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one</iupac> <moldb-polar-surface-area>17.07</moldb-polar-surface-area> <moldb-refractivity>50.969699999999996</moldb-refractivity> <moldb-polarizability>18.913929847287786</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>19.542760654624818</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.696265722551685</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.01</moldb-alogps-logp> <moldb-alogps-logs>-2.21</moldb-alogps-logs> <moldb-alogps-solubility>1.01e+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>CED0150409</sync-id> <structure-inchikey>NGSXTBFUMNXJDK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000000000000000430000000000000000020000000000000000000000000000000000000000000000000000000000000000000008000000000040020000000000000000000000000002000000000000000001040000000000000000000020000000000000000000000100000000040000000000000000000000000000000000000000000000000000000000000000004000010000000080000000000000000000800000000000000000000000000000000000000000000000000000000000000002000200000000000000000000000000000000040000000000000000000000000100001800000000000</structure-fingerprint> <structure-pattern-fingerprint>1000000102044000000800410820000000040081048000002520400200000c400000100280000000000102008000200420002c428c30210020443000a0000084110c00020000000083100000620000000001804000003240040420000048000c380004004002086000040040100000200680100001c0041108000000510002004000084c4000000800020008080008100c0032444014020000080000000000004100000800400002000940012ca01006c00002804108401000402000c00210000000040400001201c00000000102800400000002004000000002000800810000100c000008000000000400418c200000100010004000020000020050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADQAAAIABBgBgAAAAAQMGACgAAAAD BAYAaAAAAAMDAQYAKAAAAAMEBgBoAAAAAwMBBgAoAAAAAwQIACgAAAADAgYA YAAAAAICBgBgAAAAAgIGAGAAAAADAQYAYAAAAAICBgBgAAAAAgILAAEAAQIo AgIDIAMEKAIEBSAFBigCBQcABwgACAkACQoACgsACwEACQMAQgIAAAAGAQsK CQMCBgQFBwgJAxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:03:04Z</structure-indexed-at> </compound>