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para-methyl acetophenone
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 |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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 |
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 |
Suppliers
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
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Almond , Bois de rose , Butterscotch , Cherry , Chypre , Clover , Crabapple blossom , Currant black currant , Decumaria , Fern , Fir needle oil replacer , Flower shop , Genet , Grape , Hawthorn , Hay new mown hay , Herbal , Lavender , Lilac , Mango , Mimosa , Moss , Pine , Powder , Raspberry , Strawberry , Vanilla , Wisteria , Woody |
| Other purposes | Lux beauty shower soap |
| Cosmetic purposes | Fragrance |
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 | |
| Pictogram |  |
| 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 ppm | average 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 |