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allyl 2-ethyl butyrate
General Material Information
| Preferred name | allyl 2-ethyl butyrate |
| Trivial Name | Allyl 2-ethylbutyrate |
| Short Description | allyl 2-ethylbutyrate |
| Formula | C9 H16 O2 |
| CAS Number | 7493-69-8 |
| FEMA Number | 2029 |
| Flavis Number | 9.41 |
| ECHA Number | 231-332-6 |
| FDA UNII | T7177XGV3Q |
| Nikkaji Number | J307.835C |
| MDL | MFCD00036523 |
| COE Number | 281 |
| xLogP3-AA | 2.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 11 allyl 2-ethylbutyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 7493-69-8 ; ALLYL 2-ETHYLBUTYRATE |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB36208 |
| FooDB: | FDB015066 |
| Export Tariff Code: | 2915.60.0000 |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Inoue Perfumery |
| Kingchem Laboratories | Parchem |
| Penta International | Pfaltz & Bauer |
| WholeChem | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 156.22491455078 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.339 to 7.381 |
| Refractive Index | 1.422 to 1.427 @ 20 °C |
| Boiling Point | 58 to 60°C @ 6 mm Hg |
| Boiling Point | 165 to 167°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.641 mmHg @ 25 °C |
| Flash Point TCC Value | 54.44 °C TCC |
| logP (o/w) | 2.972 est |
| Solubility | |
| alcohol | Yes |
| water, 157.3 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| nutty, fruity, peach, cherry, ethereal | |
| Odor strength | medium , recommend smelling in a 1.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1987) | At 1.00 % in dipropylene glycol. nut fruit peach-pit cherry-pit ethereal |
| Flavor Type: Ethereal | |
| ethereal, fruity, green, nutty, hazelnut, seedy, macadamia, nut flesh | |
| Luebke, William tgsc, (1987) | Ethereal fruity green nutty hazelnut seedy macadamia nut flesh |
Potential Uses
| Applications | |
| Odor purposes | Fruit |
| Flavoring purposes | Cherry , Fruit tropical fruit , Peach |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| T - Toxic. | |
| R 10 - Flammable. R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 40/20/21 - Harmful: possible risks of irreversable effects through inhalation and in contact with skin. S 02 - Keep out of the reach of children. S 03/07 - Keep container tightly closed in cool place. S 16 - Keep away from sources of ignition - No Smoking. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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 | |||
| IFRA Purity Specification: | |||
| Recommendation for allyl 2-ethyl butyrate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.01 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.02 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: | - | - | |
| beverages(nonalcoholic): | 0.50000 | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| 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): |
| EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):7493-69-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61408 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:3 |
| prop-2-enyl 2-ethylbutanoate |
| Chemidplus:0007493698 |