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Compound Summary

General Compound Information

4'-methylacetophenone

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Description

Present in sour cherry, orange, grapefruit peel, blackcurrants, guava, peach, other fruits, celery, potato, tomato, pepper, parsley, smoked fish, cognac, Parmesan cheese and other foodstuffs. Flavouring ingredient. 4'-Methylacetophenone is found in many foods, some of which are green vegetables, herbs and spices, garden tomato, and potato.

Synonyms

4'-Methylacetophenone; 122-00-9; 1-(p-Tolyl)ethanone; p-Methylacetophenone; 1-(4-Methylphenyl)ethanone;

1-p-Tolylethanone;4-METHYLACETOPHENONE;Melilotal;p-Methyl acetophenone;Methyl p-tolyl ketone;p-Acetyltoluene;Ethanone, 1-(4-methylphenyl)-;p-Acetotoluene;4-Acetyltoluene;1-Acetyl-4-methylbenzene;Acetophenone, 4'-methyl-;1-Methyl-4-acetylbenzene;4-Methylphenyl methyl ketone;1-(4-Methylphenyl)ethan-1-one;FEMA No. 2677;1-P-TOLYL-ETHANONE;NSC 9401;para-methyl acetophenone;para-Methyl-acetophenone;MFCD00008751;AX66V0KX3Y;(4-Methylphenyl) methyl ketone;DTXSID9044374;NSC-9401;Tolyl methyl ketone, p-;EINECS 204-514-8;UNII-AX66V0KX3Y;Esberiven;Melilot;Yellow melilot;Sweet clover;AI3-00734;para-acetotoluene;FEMA 2677;4-tolylmethylketone;Yellow sweet clover;4-methylacteophenone;p- methylacetophenone;p-methyl-acetophenone;nchem.328-comp4a;4-methyl acetophenone;p-tolyl methyl ketone;p- Methyl acetophenone;4'-methyl-acetophenone;1-(p-tolyl)-ethanone;4'-Methyl acetophenone;4\'-Methylacetophenone;Para Methyl Acetophenone;(4-Methylphenyl)ethanone;EC 204-514-8;SCHEMBL55409;METHYL-P-TOLYL KETONE;1-(4-methylphenyl)-ethanone;4'-Methylacetophenone, 95%;WLN: 1VR D1;1-(4-Methylphenyl)ethanone #;CHEMBL271871;DTXCID7024374;1-(4-methylphenyl)-1-ethanone;NSC9401;CHEBI:178626;1-(4-Methylphenyl)ethanone, 9CI;AMY40157;ZINC1699969;4-METHYL ACETOPHENONE [FCC];Tox21_302023;P-METHYL ACETOPHENONE [INCI];STL146461;4'-METHYLACETOPHENONE [FHFI];AKOS000119027;CS-W013369;HY-W012653;NCGC00255943-01;AC-26823;AS-12910;CAS-122-00-9;4'-Methylacetophenone, analytical standard;4'-Methylacetophenone, >=95%, FCC, FG;DB-012815;FT-0619054;M0135;EN300-17994;D70502;4'-Methylacetophenone, purum, >=96.0% (GC);Q2816673;W-108442;4'-Methylacetophenone, Vetec(TM) reagent grade, 94%;Z57127458;F9995-0065;

FlavorDB ID

2546

PUBCHEM ID

Molecular Weight

134.17 Molecular Formula

C9H10O

Openeye Can Smiles

CC1=CC=C(C=C1)C(=O)C

IUPAC Inchikey

GNKZMNRKLCTJAY-UHFFFAOYSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	flowery, sweet	1.804e-1 µmol/L	parsley	details
smell	flowery, sweet	1.789e-1 µmol/L	parsley	details

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 4-Methylacetophenone

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Reference point information of this compound is not available!

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
2287	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers
2863	MSI/FC	=	4.4	mg/kg	Cats as pet
2863	MSI/FC	=	8	mg/kg	Chicken for egg production
2863	MSI/FC	=	8	mg/kg	Chicken for meat production
2863	MSI/FC	=	10	mg/kg	Pigs - less than 1 year old
2863	MSI/FC	=	14	mg/kg	Cattle for milk production
2863	MSI/FC	=	15	mg/kg	Turkeys for meat production
2863	MSI/FC	=	17	mg/kg	Pigs for meat production
2863	MSI/FC	=	17	mg/kg	Pigs for reproduction
2863	MSI/FC	=	22	mg/kg	Cattle for meat production
2863	MSI/FC	=	25	mg/kg	Cattle for meat production - less than 1 year old
2863	MSI/FC	=	25	mg/kg	Salmons
2863	MSI/FC	=	26	mg/kg	Dogs as pet

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2008	2287	Not determined
EFSA FEEDAP	2016	2863	Not determined

EFSA Outputs

Output ID	Title	DOI	Published
2287	Flavouring Group Evaluation 69, (FGE.69): Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006). Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food	doi:10.2903/j.efsa.2008.869	10Nov2008
2863	Safety and efficacy of aromatic ketones, secondary alcohols and related esters belonging to chemical group 21 when used as flavourings for all animal species	doi:10.2903/j.efsa.2016.4557	23Aug2016

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

Content

Compound Summary

4'-methylacetophenone

Description

Synonyms

4'-Methylacetophenone; 122-00-9; 1-(p-Tolyl)ethanone; p-Methylacetophenone; 1-(4-Methylphenyl)ethanone;

FlavorDB ID

2546

PUBCHEM ID

8500

Molecular Weight

134.17

Molecular Formula

C9H10O

Openeye Can Smiles

CC1=CC=C(C=C1)C(=O)C

IUPAC Inchikey

GNKZMNRKLCTJAY-UHFFFAOYSA-N

Network

Shown in network

Similarity

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Content

Compound Summary

4'-methylacetophenone

Description

Synonyms

4'-Methylacetophenone; 122-00-9; 1-(p-Tolyl)ethanone; p-Methylacetophenone; 1-(4-Methylphenyl)ethanone;

FlavorDB ID

2546

PUBCHEM ID

8500

Molecular Weight

134.17

Molecular Formula

C9H10O

Openeye Can Smiles

CC1=CC=C(C=C1)C(=O)C

IUPAC Inchikey

GNKZMNRKLCTJAY-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

OpenFoodTox: component 4-Methylacetophenone

GC-MS Spectrum