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isoamyl isobutyrate
General Material Information
| Preferred name | isoamyl isobutyrate |
| Trivial Name | Isoamyl isobutyrate |
| Short Description | isopentyl isobutyrate |
| Formula | C9 H18 O2 |
| CAS Number | 2050-01-3 |
| FEMA Number | 3507 |
| Flavis Number | 9.419 |
| ECHA Number | 218-078-1 |
| FDA UNII | RF0ZT103EG |
| Nikkaji Number | J1.793K |
| MDL | MFCD00053719 |
| COE Number | 294 |
| xLogP3-AA | 2.80 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 49 isoamyl isobutyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 2050-01-3 ; ISOAMYL ISOBUTYRATE |
| 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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB36234 |
| FooDB: | FDB015092 |
| Export Tariff Code: | 2915.90.5050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 158.24085998535 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.098 to 7.156 |
| Refractive Index | 1.404 to 1.409 @ 20 °C |
| Boiling Point | 168 to 171°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 1.895 mmHg @ 25 °C |
| Vapor Density | 5.4 |
| Flash Point TCC Value | 53.89 °C TCC |
| logP (o/w) | 3.021 est |
| Solubility | |
| alcohol | Yes |
| water, 136.1 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, ethereal, tropical, green, grape, cherry, banana unripe banana, apple, cocoa, sweet, estery, waxy | |
| Odor strength | medium |
| Substantivity | < 1 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 100.00 %. fruity ethereal tropical green grape cherry unripe banana apple cocoa |
| Mosciano, Gerard P&F 19, No. 6, 53, (1994) | Sweet, fruity, estry and green with a waxy nuance |
| Flavor Type: Fruity | |
| fruity, green, rummy, oily, fatty, berry, cocoa, sweet | |
| Luebke, William tgsc, (2021) | Fruity green rummy oily fatty berry cocoa |
| Mosciano, Gerard P&F 19, No. 6, 53, (1994) | At 40.00 ppm. Sweet, fruity, green and fatty with a berry nuance |
| General comment | Fruity, slightly cocoa |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apricot , Banana , Blackberry , Cherry , Currant , Date , Grape , Hop , Mango , Melon , Orange , Peach , Pineapple , Plum , Strawberry , Tangerine , Woodruff |
| Flavoring purposes | Chocolate cocoa |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 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 | |||
| Recommendation for isoamyl isobutyrate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| 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: 10 | |||
| Click here to view publication 10 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 128.70000 | |
| beverages(nonalcoholic): | - | 48.10000 | |
| beverages(alcoholic): | - | 21.10000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 114.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 74.00000 | |
| fruit ices: | - | 74.00000 | |
| gelatins / puddings: | - | 103.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.09000 | |
| 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
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):2050-01-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :519786 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2620 |
| WGK Germany:3 |
| 3-methylbutyl 2-methylpropanoate |
| Chemidplus:0002050013 |