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CHEBI:145958 - 2'-methylacetophenone

ChEBI IDCHEBI:145958
ChEBI Name2'-methylacetophenone
Stars
DefinitionA member of the class of acetophenones that is acetophenone which is substituted by a methyl group at position 2.
Last Modified10 March 2020
Submittermwilliams
DownloadsMolfile
FormulaC9H10O
Net Charge0
Average Mass134.178
Monoisotopic Mass134.07316
SMILESCC(=O)c1ccccc1C
InChIInChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
InChIKeyYXWWHNCQZBVZPV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium coprophilum (ncbitaxon:36646) - PubMed (2641484)
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
Applications:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
ChEBI Ontology
Outgoing Relation(s)
2'-methylacetophenone (CHEBI:145958) has role acaricide (CHEBI:22153)
2'-methylacetophenone (CHEBI:145958) has role flavouring agent (CHEBI:35617)
2'-methylacetophenone (CHEBI:145958) has role fungal metabolite (CHEBI:76946)
2'-methylacetophenone (CHEBI:145958) is a acetophenones (CHEBI:22187)
2'-methylacetophenone (CHEBI:145958) is a toluenes (CHEBI:27024)
IUPAC Name 
1-(2-methylphenyl)ethanone
Synonyms  Source
1-(2-methylphenyl)ethan-1-oneIUPAC
2-methylacetophenoneChemIDplus
o-methylacetophenoneChemIDplus
2'-methylacetylphenoneChemIDplus
2-acetyltolueneChemIDplus
o-acetyltolueneChemIDplus
Registry NumbersSources
Reaxys:907005Reaxys
CAS:577-16-2ChemIDplus
CAS:577-16-2NIST Chemistry WebBook
CAS:26444-19-9ChemIDplus
Citations