83148 <common-name>1-Butynylbenzene</common-name> <description>1-Butynylbenzene belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C10H10 and an average molecular weight of 130.19 g/mol.</description> <cas>622-76-4</cas> <pubchem-id>69328</pubchem-id> <chemical-formula>C10H10</chemical-formula> <weight>130.19</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">2026-04-04T19:16:17Z</created-at> <updated-at type="dateTime">2026-08-17T20:57:23Z</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>CCC#CC1=CC=CC=C1</moldb-smiles> <moldb-formula>C10H10</moldb-formula> <moldb-inchi>InChI=1/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1H3</moldb-inchi> <moldb-inchikey>FFFMSAQQVUJA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">130.19</moldb-average-mass> <moldb-mono-mass type="decimal">130.0782503</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM079041</chemdb-id> <dsstox-id>DTXSID30211243</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00042794</susdat-id> <iupac>but-1-ynylbenzene</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer">2</paper-count> <sync-id>CED0055141</sync-id> <structure-inchikey>FFFMSANAQQVUJA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800002000000000001000000000000000000000000000000000002000000000000000000000004000000000200000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000080000000000000000000000000000000000000000000000000002000000000040000000800000000000080000000000000100000000000000000000000000000000000000000000080000000000000000000000000000000000040000000000000000000000000000000000000000001000000002000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>20000000000000000200000000000000400000000004002000004400000000080000000000100000000000420002000042000000044300020000084110000020000000000000000420000000001004000010200000420000000000c2804040000020000000000400000002000001000000000110800000011000200400000044000000800000008000000100c00024400008000000800000000000001000000004000000008000014000002c00000004008400000000000000010000000040400000001800000000000000000020000004000000000000800000000000a0000010000000000000002000000000010004000020000000050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������`�������(�������(������@(������@h�������@h�������@h�������@h�������@h���������������(��� ��h���h���h���h�� h� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:29:02Z</structure-indexed-at> </compound>