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CHEBI:145957 - 1-phenyl-2-hexanone

ChEBI IDCHEBI:145957
ChEBI Name1-phenyl-2-hexanone
Stars
DefinitionA ketone that is hexylbenzene carrying an oxo group at position 2.
Last Modified20 February 2020
Submittermwilliams
DownloadsMolfile
FormulaC12H16O
Net Charge0
Average Mass176.259
Monoisotopic Mass176.12012
SMILESCCCCC(=O)Cc1ccccc1
InChIInChI=1S/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKeyDYQAZJQDLPPHNB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-phenyl-2-hexanone (CHEBI:145957) is a benzenes (CHEBI:22712)
1-phenyl-2-hexanone (CHEBI:145957) is a ketone (CHEBI:17087)
IUPAC Name 
1-phenylhexan-2-one
Synonyms  Source
benzyl n-butyl ketoneNIST Chemistry WebBook
benzyl butyl ketoneChEBI
Manual XrefsDatabases
HMDB0094661HMDB
Registry NumbersSources
Reaxys:2044423Reaxys
CAS:25870-62-6ChemIDplus
CAS:25870-62-6NIST Chemistry WebBook
Citations