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raspberry ketone methyl ether
General Material Information
| Preferred name | raspberry ketone methyl ether |
| Trivial Name | 4-(4-Methoxyphenyl)-2-butanone |
| Short Description | 4-(p-methoxyphenyl)-2-butanone |
| Formula | C11 H14 O2 |
| CAS Number | 104-20-1 |
| FEMA Number | 2672 |
| ECHA Number | 203-184-2 |
| FDA UNII | GVG47S4S5V |
| Nikkaji Number | J5.026A |
| Beilstein Number | 1869592 |
| MDL | MFCD00008791 |
| COE Number | 163 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 818 4-(p-methoxyphenyl)-2-butanone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 104-20-1 ; 4-(P-METHOXYPHENYL)-2-BUTANONE |
| 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
| 4-(4-methoxyphenyl)butan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 104-20-1 |
| Pubchem (cid): | 61007 |
| Pubchem (sid): | 135018152 |
| 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): | HMDB33597 |
| FooDB: | FDB011682 |
| Export Tariff Code: | 2914.50.5000 |
| 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 | 178.23098754883 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.662 to 8.737 |
| Refractive Index | 1.515 to 1.525 @ 20 °C |
| Boiling Point | 152 to 153°C @ 15 mm Hg |
| Boiling Point | 276 to 278°C @ 760 mm Hg |
| Vapor Pressure | 0.004 mmHg @ 25 °C |
| Vapor Density | 6.1 |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 1.852 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, very slightly | Yes |
| water, 1007 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Berry | |
| sweet, dry, raspberry, rose, cherry, fruity, acacia, woody, powdery, honey, vanilla, violet | |
| Odor strength | medium |
| Substantivity | 324 hour(s) at 100.00 % |
| Luebke, William tgsc, (1987) | At 100.00 %. sweet dried raspberry rose cherry fruity cassie absolute |
| Mosciano, Gerard P&F 23, No. 2, 43, (1998) | At 5.00 %. Sweet, fruity, woody, powdery, honey, vanilla, raspberry and ionone-like |
| Flavor Type: Berry | |
| floral, woody, violet, raspberry, fruity, spicy, berry | |
| Mosciano, Gerard P&F 23, No. 2, 43, (1998) | At 40.00 ppm. Floral, woody, ionone, raspberry, fruity, spice and berry |
| Used in Vanilla, berry, licorice flavours; hard confection at up to 100ppm, soft confection at 30ppm, desserts at 25ppm, beverages and frozen dairy at 10ppm max. | Anise |
| Useful in: vanilla, fruity red, fruity others, sweet others. | Very sweet, raspberry, anisic, watery, slightly melon character |
| General comment | Fruity, raspberry note |
Occurrences
| (data available) |
Potential Uses
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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) | |
| Acute toxicity, Oral (Category 4), H302 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Russell, 1973f) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 929, 1974. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 929, 1974. | |
| 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 raspberry ketone methyl ether usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 4.50 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 840.00 (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: | - | 26.00000 | |
| beverages(nonalcoholic): | - | 12.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 10.00000 | 12.00000 | |
| fruit ices: | 10.00000 | 12.00000 | |
| gelatins / puddings: | - | 25.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 28.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| 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):104-20-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61007 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4-(4-methoxyphenyl)butan-2-one |
| Chemidplus:0000104201 |
| RTECS:EL9085500 for cas# 104-20-1 |