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raspberry ketone acetate
General Material Information
| Preferred name | raspberry ketone acetate |
| Trivial Name | 4-(p-Acetoxyphenyl)-2-butanone |
| Short Description | 4-(p-acetoxyphenyl)-2-butanone |
| Formula | C12 H14 O3 |
| CAS Number | 3572-06-3 |
| FEMA Number | 3652 |
| Flavis Number | 9.288 |
| ECHA Number | 222-682-0 |
| FDA UNII | 040RZ09S0V |
| Nikkaji Number | J3.054F |
| Beilstein Number | 1961620 |
| MDL | MFCD00008704 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 731 4-(p-acetoxyphenyl)-2-butanone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 3572-06-3 ; 4-(P-ACETOXYPHENYL)-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 |
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): | HMDB33594 |
| FooDB: | FDB011678 |
| Export Tariff Code: | 2916.39.7900 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 206.24118041992 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.12 to 9.153 |
| Refractive Index | 1.506 to 1.512 @ 20 °C |
| Boiling Point | 123 to 124°C @ 0.2 mm Hg |
| Vapor Pressure | 3.8E-5 mmHg @ 25 °C |
| Flash Point TCC Value | 133.89 °C TCC |
| logP (o/w) | 1.323 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 |
| water, 1888 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Berry | |
| berry, jammy, raspberry, blueberry | |
| Odor strength | medium |
| Substantivity | > 400 hour(s) at 100.00 % |
| Luebke, William tgsc, (1995) | At 100.00 %. berry jam raspberry blueberry |
| Flavor Type: Berry | |
| berry, jammy, fruity, raspberry, blackberry, blueberry, tropical | |
| Luebke, William tgsc, (1995) | Sweet berry jammy fruity raspberry blackberry blueberry tropical |
| Used in berry flavors for jam notes. | Berry |
| Used in chewing gum at 10ppm, confectionery and desserts at 1ppm. | Fruity |
| General comment | BERRY, JAM, FRUITY, RASPBERRY |
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 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 5), H303 Acute toxicity, dermal (Category 5), H313 Acute aquatic toxicity (Category 3), H402 | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Signal word | Warning |
| Hazard statement(s) | |
| H303 - May be harmfulif swallowed H313 - May be harmful in contact with skin H402 - Harmful to aquatic life | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 3038 mg/kg Toxicology and Applied Pharmacology. Vol. 31, Pg. 421, 1975. gavage-rat LD50 [sex: M,F] (Sauer & Salem, 1980) | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 2025 mg/kg Toxicology and Applied Pharmacology. Vol. 31, Pg. 421, 1975. | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 > 2800 mg/m3 Toxicology and Applied Pharmacology. Vol. 31, Pg. 421, 1975. | |
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 acetate usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 0.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 10.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 1.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| imitation dairy: | - | 1.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 1.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 2.00000 | |
| 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 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87. View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):3572-06-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :19137 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| [4-(3-oxobutyl)phenyl] acetate |
| Chemidplus:0003572063 |
| RTECS:EL8950000 for cas# 3572-06-3 |