2'-methylacetophenone (CHEBI:145958)

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CHEBI:145958 - 2'-methylacetophenone

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ChEBI ID	CHEBI:145958
ChEBI Name	2'-methylacetophenone
Stars
Definition	A member of the class of acetophenones that is acetophenone which is substituted by a methyl group at position 2.
Last Modified	10 March 2020
Submitter	mwilliams
Downloads	Molfile

Formula	C9H10O
Net Charge	0
Average Mass	134.178
Monoisotopic Mass	134.07316
SMILES	CC(=O)c1ccccc1C
InChI	InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
InChIKey	YXWWHNCQZBVZPV-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Penicillium coprophilum (ncbitaxon:36646)	-	PubMed (2641484)

Roles Classification

Chemical Role:	flavouring agent A food additive that is used to added improve the taste or odour of a food.
Biological Roles:	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. flavouring agent A food additive that is used to added improve the taste or odour of a food.
Applications:	acaricide A substance used to destroy pests of the subclass Acari (mites and ticks). flavouring agent A food additive that is used to added improve the taste or odour of a food.

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-one	IUPAC
1-(2-tolyl)ethanone	ChEBI
1-(o-tolyl)ethan-1-one	ChEBI
1-(o-tolyl)ethanone	ChEBI
2-acetyltoluene	ChemIDplus
2-methylacetophenone	ChemIDplus

Registry Numbers	Sources
Reaxys:907005	Reaxys
CAS:26444-19-9	ChemIDplus
CAS:577-16-2	ChemIDplus
CAS:577-16-2	NIST Chemistry WebBook

Citations