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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:145958 - 2'-methylacetophenone
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ChEBI Ontology
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ChEBI Name
2'-methylacetophenone
ChEBI ID
CHEBI:145958
Definition
A member of the class of acetophenones that is acetophenone which is substituted by a methyl group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
No supplier information found for this compound.
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Formula
C9H10O
Net Charge
0
Average Mass
134.178
Monoisotopic Mass
134.07316
InChI
InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
InChIKey
YXWWHNCQZBVZPV-UHFFFAOYSA-N
SMILES
O=C(C=1C(=CC=CC1)C)C
Metabolite of Species
Details
Penicillium coprophilum
(NCBI:txid36646)
See:
PubMed
Roles Classification
Biological Role
(s):
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.
Application
(s):
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
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'-methylacetylphenone
ChemIDplus
2-acetyltoluene
ChemIDplus
2-methylacetophenone
ChemIDplus
methyl 2-methylphenyl ketone
NIST Chemistry WebBook
methyl
o
-tolyl ketone
ChEBI
o
-acetyltoluene
ChemIDplus
o
-methylacetophenone
ChemIDplus
ortho
-methylacetophenone
ChEBI
Registry Numbers
Types
Sources
26444-19-9
CAS Registry Number
ChemIDplus
577-16-2
CAS Registry Number
ChemIDplus
577-16-2
CAS Registry Number
NIST Chemistry WebBook
907005
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11073576
PubMed citation
Europe PMC
15147713
PubMed citation
Europe PMC
20670023
PubMed citation
Europe PMC
22429095
PubMed citation
Europe PMC
2641484
PubMed citation
Europe PMC
6120816
PubMed citation
Europe PMC
Last Modified
10 March 2020