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isoamyl propionate
General Material Information
| Preferred name | isoamyl propionate |
| Trivial Name | Isoamyl propionate |
| Short Description | 3-methylbutyl propionate |
| Formula | C8 H16 O2 |
| CAS Number | 105-68-0 |
| FEMA Number | 2082 |
| Flavis Number | 9.136 |
| ECHA Number | 203-322-1 |
| FDA UNII | 2A8739M82Z |
| Nikkaji Number | J2.852E |
| Beilstein Number | 1747359 |
| MDL | MFCD00048611 |
| COE Number | 417 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 44 isoamyl propionate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 105-68-0 ; ISOAMYL PROPIONATE |
| 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
| 3-methylbutyl propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 105-68-0 |
| Pubchem (cid): | 7772 |
| Pubchem (sid): | 134971174 |
| 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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB34164 |
| FooDB: | FDB012450 |
| 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 | Yes |
| Molecular weight | 144.21391296387 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.198 to 7.264 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.214 to 7.281 |
| Refractive Index | 1.404 to 1.408 @ 20 °C |
| Boiling Point | 159 to 161°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 2.356 mmHg @ 25 °C |
| Vapor Density | 4.9 |
| Flash Point TCC Value | 47.78 °C TCC |
| logP (o/w) | 2.667 est |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| water, 356.7 mg/L @ 25 °C (est) | Yes |
| water | No |
| glycerin | No |
| propylene glycol | No |
| Stability | |
| relatively stable | Unspecified |
Organoleptic Properties
| Odor Type: Fruity | |
| sweet, fruity, banana, pineapple, ripe, fruit tropical fruit, estery, apple, fresh, green, tropical | |
| Odor strength | medium |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1997) | At 100.00 %. sweet fruity banana pineapple ripe tropical fruit |
| Mosciano, Gerard P&F 24, No. 2, 49, (1999) | At 2.00 %. Sweet, estry, fruity apple, banana with a fresh green slightly tropical nuance |
| Flavor Type: Fruity | |
| sweet, banana, fruity, tutti frutti, apple, melon, tropical, pineapple | |
| Mosciano, Gerard P&F 24, No. 2, 49, (1999) | At 30.00 ppm. Sweet, banana, fruity, tutti frutti, apple, melon, tropical and pineapple-like |
| General comment | BITTERSWEET APRICOT |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apricot , Banana , Cherry , Grape , Lemon , Licorice , Orange , Peach , Pear , Peppermint , Pineapple , Plum , Quince , Raspberry , Saffron , Strawberry , Valerian , Woodruff |
| Flavoring purposes | Chocolate cocoa , Fruit tropical fruit , Valerian |
| Other purposes | Topnotes |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| R 10 - Flammable. | |
| R 10 - Flammable. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. | |
| 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: | |
| oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 809, 1975. intraperitoneal-rat LD50 2300 mg/kg Ernaehrungsforschung. Vol. 7, Pg. 211, 1962. oral-rabbit LD50 6924 mg/kg Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 809, 1975. | |
| 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 propionate 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 6.10000 | |
| beverages(nonalcoholic): | - | 3.80000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 750.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 13.00000 | |
| fruit ices: | - | 13.00000 | |
| gelatins / puddings: | 0.80000 | 3.70000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 38.00000 | |
| 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
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):105-68-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7772 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:1 |
| 3-methylbutyl propanoate |
| Chemidplus:0000105680 |
| RTECS:NT0190000 for cas# 105-68-0 |