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pentanoic acid, 3-methyl-2-oxo-, ethyl ester
General Material Information
| Preferred name | pentanoic acid, 3-methyl-2-oxo-, ethyl ester |
| Trivial Name | ethyl 3-methyl-2-oxopentanoate |
| Short Description | nuezate (Bedoukian) |
| Formula | C8 H14 O3 |
| CAS Number | 26516-27-8 |
| Deleted CAS Number | 123434-11-7 |
| FEMA Number | 4903 |
| FDA UNII | 5V9ZD1U3Q9 |
| Nikkaji Number | J1.365.447F |
| xLogP3-AA | 1.80 (est) |
| NMR Predictor | External link |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| 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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.90.0000 |
| ChemSpider: | View |
Suppliers
| Bedoukian Research |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 158.19717407227 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.013 to 8.063 |
| Refractive Index | 1.414 to 1.418 @ 20 °C |
| Vapor Pressure | 0.253 mmHg @ 25 °C |
| Flash Point TCC Value | 77.1 °C TCC |
| logP (o/w) | 0.934 |
| Solubility | |
| alcohol | Yes |
| water, 1.111e+004 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Nutty | |
| nutty, walnut, woody, herbal | |
| General comment | Great for adding earthy notes typical of many tree nuts. Especially useful for enhancing flavors in maple and nutty applications. Recommended Flavor Use Level: 0.1 - 5.0 PPM nutty black walnut aroma, accompanied by woody nuances and a subtle herbaceousness |
| Flavor Type: Nutty | |
| fresh, nutty, walnut, dry, woody | |
| General comment | Fresh nutty notes of walnut, dry, woody |
| Great for adding earthy notes typical of many tree nuts. Especially useful for enhancing flavors in maple and nutty applications. Recommended Flavor Use Level: 0.1 - 5.0 PPM | Characteristic, fresh notes of walnut, dry, woody. |
Potential Uses
| Applications | |
| Odor purposes | Herbal , Woody |
| Flavoring purposes | Nut , Walnut |
| Other purposes | Nut meat , Nut skin , Nutty , Woody herbal bases |
Safety Information
Safety information
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| 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 | |||
| 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: 29 | |||
| Click here to view publication 29 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 100.00000 | |
| beverages(nonalcoholic): | 5.00000 | 50.00000 | |
| beverages(alcoholic): | 2.50000 | 25.00000 | |
| breakfast cereal: | 5.00000 | 50.00000 | |
| cheese: | - | - | |
| chewing gum: | 10.00000 | 100.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 5.00000 | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 50.00000 | |
| fish products: | - | - | |
| frozen dairy: | 5.00000 | 50.00000 | |
| fruit ices: | 5.00000 | 50.00000 | |
| gelatins / puddings: | 5.00000 | 50.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 10.00000 | 100.00000 | |
| imitation dairy: | 2.50000 | 25.00000 | |
| instant coffee / tea: | 5.00000 | 50.00000 | |
| jams / jellies: | 2.50000 | 25.00000 | |
| meat products: | - | - | |
| milk products: | 2.50000 | 25.00000 | |
| nut products: | 5.00000 | 50.00000 | |
| other grains: | 5.00000 | 50.00000 | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 10.00000 | 100.00000 | |
| snack foods: | 2.50000 | 25.00000 | |
| soft candy: | 5.00000 | 50.00000 | |
| soups: | 2.50000 | 25.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 2.50000 | 25.00000 | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):26516-27-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :13129857 |
| National Institute of Allergy and Infectious Diseases:Data |
| ethyl 3-methyl-2-oxopentanoate |
| Chemidplus:0026516278 |