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para-methyl acetophenone

Chemical Structure

General Material Information

Preferred name para-methyl acetophenone
Trivial Name p-Methylacetophenone
Short Description 4'-methylacetophenone
Formula C9 H10 O
CAS Number 122-00-9
FEMA Number 2677
Flavis Number 7.022
ECHA Number 204-514-8
FDA UNII AX66V0KX3Y
Nikkaji Number J2.926B
Beilstein Number 0606053
MDL MFCD00008751
COE Number 156
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 807 4'-methylacetophenone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 122-00-9 ; 4'-METHYLACETOPHENONE
Synonyms
  • acetophenone, 4'-methyl-
  • p- acetotoluene
  • para- acetotoluene
  • p- acetyl toluene
  • para- acetyl toluene
  • 1-acetyl-4-methyl benzene
  • 1-acetyl-4-methylbenzene
  • p- acetyltoluene
  • para- acetyltoluene
  • ethanone, 1-(4-methylphenyl)-
  • ethanone, 1-(4-methylphenyl)-
  • melilotal
  • methyl acetophenone
  • 4-methyl acetophenone
  • 4'- methyl acetophenone
  • p- methyl acetophenone
  • methyl acetophenone extra FCC
  • methyl acetophenone para
  • methyl p-tolyl ketone
  • methyl para-tolyl ketone
  • 4-methyl phenyl methyl ketone
  • 1-(4-methyl phenyl) ethanone
  • 1-methyl-4-acetyl benzene
  • 1-methyl-4-acetylbenzene
  • 4-methylacetophenone
  • 4'- methylacetophenone
  • p- methylacetophenone
  • para- methylacetophenone
  • 4-methylphenyl methyl ketone
  • 1-(4-methylphenyl)ethan-1-one
  • 1-(4-methylphenyl)ethanone
  • 4-methylphenylmethyl ketone
  • 1-p- tolyl ethanone
  • 1-para- tolyl ethanone
  • p- tolyl methyl ketone
  • para- tolyl methyl ketone
  • tolyl methyl ketone, p-
  • 1-p- tolyl-ethanone
  • 1-(p- tolyl)ethanone
  • 1-p- tolylethanone
  • 1-(4-methylphenyl)ethanone
  • Acetophenone, 4′-methyl-
  • p-Acetyltoluene
  • p-Methylacetophenone
  • 4′-Methylacetophenone
  • 1-Acetyl-4-methylbenzene
  • 4-Methylphenyl methyl ketone
  • p-Tolyl methyl ketone
  • Methyl 4-methylphenyl ketone
  • 1-p-Tolylethanone
  • 1-(4-Methylphenyl)-1-ethanone
  • 4-Acetyltoluene
  • 1-(4-Tolyl)ethanone
  • NSC 9401
  • 4-Methylhypnone
  • 4-Methyl-1-acetylbenzene
  • 1-(p-Tolyl)ethan-1-one
  • Para-methylacetophenone

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

1-(4-methylphenyl)ethanone
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122-00-9
Pubchem (cid):8500
Pubchem (sid):134973372
Flavornet:122-00-9
Pherobase:View
Publications by PubMed
Two new compounds from the fungus Penicilliumcrustosum YN-HT-15.
Effect of ubiquinol-10 on citral stability and off-flavor formation in oil-in-water (O/W) nanoemulsions.
Total synthesis of (+)-erogorgiaene using lithiation-borylation methodology, and stereoselective synthesis of each of its diastereoisomers.
Synthesis of Diarylpyrazoles Containing a Phenylsulphone or Carbonitrile Moiety and their Chalcones as Possible Anti-Inflammatory Agents.
One product, two pathways: initially divergent radical reactions reconverge to form a single product in high yield.
Inhibition of citral degradation by oil-in-water nanoemulsions combined with antioxidants.
Syntheses and structures of ruthenium(II) N,S-heterocyclic carbene diphosphine complexes and their catalytic activity towards transfer hydrogenation.
One-pot synthesis of 1,3,5-tribenzoylbenzenes by three consecutive Michael addition reactions of 1-phenyl-2-propyn-1-ones in pressurized hot water in the absence of added catalysts.
Maple syrup phytochemicals include lignans, coumarins, a stilbene, and other previously unreported antioxidant phenolic compounds.
Molecular dynamics of cis-1-(2-hydroxy-5- methylphenyl)ethanone oxime and N-(2-hydroxy-4-methylphenyl)acetamide in solution studied by NMR spectroscopy.
Didymosphaeria igniaria: a new microorganism useful for the enantioselective reduction of aryl-aliphatic ketones.
Synthesis, spectral, thermal and anti-fungal studies of organotin(IV) thiohydrazone complexes.
Comprehensive two-dimensional gas chromatographic analysis of commercial lemon-flavored beverages.
Potent inhibitory effects of black tea theaflavins on off-odor formation from citral.
Artificial metalloenzymes based on biotin-avidin technology for the enantioselective reduction of ketones by transfer hydrogenation.
Antioxidant activity of plant extracts on the inhibition of citral off-odor formation.
Formation mechanism of p-methylacetophenone from citral via a tert-alkoxy radical intermediate.
13C and 1H nuclear magnetic resonance of methyl-substituted acetophenones and methyl benzoates: steric hindrance and inhibited conjugation.
1-(3-Hydroxy-4-methoxy-5-methylphenyl) ethanone, a new compound from the stem bark of Lamprothamnus zanguebaricus.
Toxicity of some bis Mannich bases and corresponding piperidinols in the brine shrimp (Artemia salina) bioassay.
Keto-enol/enolate equilibria in the N-acetylamino-p-methylacetophenone system. Effect of a beta-nitrogen substituent.
Floral Origin Markers of Chestnut and Lime Tree Honeys.
Neotropical ant gardens II. Bioassays of seed compounds.
Relevance of plasmid pKM101-mediated mutagenicity in bacteria to genotoxicity in mammalian cells.
[Odorous compounds in raw water of water supplies: identification of camphor and p-methylacetophenone (author's transl)].

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32608
FooDB:FDB010549
YMDB (Yeast Metabolome Database):YMDB01619
Export Tariff Code:2914.39.9000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 134.17790222168
Specific gravity @ 25 °C
Pounds per Gallon 8.313 to 8.404
Refractive Index 1.532 to 1.536 @ 20 °C
Melting Point -23 to -24°C @ 760 mm Hg
Boiling Point 222 to 226°C @ 756 mm Hg
Vapor Pressure 0.187 mmHg @ 25 °C
Flash Point TCC Value 92.22 °C TCC
logP (o/w) 2.1
Solubility
ethyl alcohol, 10 vol. of 50% alcohol Yes
fixed oils Yes
propylene glycol Yes
water, 1424 mg/L @ 25 °C (est) Yes
water, 372 mg/L @ 15 °C (exp) Yes
glycerin No
water No
Stability
non-discoloring in most media Unspecified

Organoleptic Properties

Odor Type: Floral
hawthorn, sweet, mimosa, coumarinic, cherry, acacia, powdery, naphthyl, vanilla
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 20 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 10.00 % in dipropylene glycol. hawthorn sweet mimosa coumarin cherry acetophenone
Mosciano, Gerard P&F 18, No. 4, 51, (1993) Sweet, powdery, naphthyl, vanilla, coumarin and cherry-like
Flavor Type: Creamy
sweet, creamy, fruity, cherry, heliotrope
Mosciano, Gerard P&F 18, No. 4, 51, (1993) At 20.00 ppm. Sweet, creamy, fruity, cherry and heliotropine-like
Useful in: brown nuts, brown others, vanilla, savory vegetable, fruity red, fruity yellow, sweet others. Cumin-like, sweet, vanilla, cream
General comment Sweet, citrus, fruity, cherry note

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Flammable liquids (Category 4), H227
Acute toxicity, Oral (Category 4), H302
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H227 - Combustible liquid
H302 - Harmful if swallowed
Precautionary statement(s)
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction.
P403 + P235 - Store in a well-ventilated place. Keep cool.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
6 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
gavage-rat LD50 [sex: M,F] 1400 mg/kg
(Industrial Bio-Test Laboratories,Inc., 1971b)

oral-rat LD50 1400 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 933, 1974.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for para-methyl acetophenone usage levels up to:
6.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 22.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 37.00 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -4.90000
beverages(nonalcoholic): -1.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -870.00000
condiments / relishes: -5.80000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.60000
fruit ices: -1.60000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -5.20000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: -8.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 69, (FGE.69)[1] - 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
View page or View pdf

Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf

Safety and efficacy of aromatic ketones, secondary alcohols and related esters belonging to chemical group 21 when used as flavourings for all animal species
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): 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.16Rev2
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):122-00-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8500
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1325
WGK Germany:1
1-(4-methylphenyl)ethanone
Chemidplus:0000122009
RTECS:AM9463000 for cas# 122-00-9