| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 105-68-0 |
| ECHA EC Number: | 203-322-1 |
| FDA UNII: | 2A8739M82Z |
| CoE Number: | 417 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | isoamyl propionate |
| InChI : | InChI=1/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3 |
| Std.InChI: | InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey : | XAOGXQMKWQFZEM-UHFFFAOYAZ |
| Std.InChIKey: | XAOGXQMKWQFZEM-UHFFFAOYSA-N |
| SMILES : | CCC(=O)OCCC(C)C |
| MDL: | MFCD00048611 |
| Molar Refractivity : | 40.84 ± 0.3 cm3 (est) |
| Parachor : | 372.5 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.411 ± 0.02 (est) |
| Surface Tension : | 26.3 ± 3.0 dyne/cm (est) |
| Density : | 0.876 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.19 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 44 isoamyl propionate |
| DG SANTE Food Flavourings: | 09.136 3-methylbutyl propionate |
| FEMA Number: | 2082 isoamyl propionate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 105-68-0 ; ISOAMYL PROPIONATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| 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 | |
| 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: | - | - | |
| 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 |
| 3-methylbutyl propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 105-68-0 |
| Pubchem (cid): | 7772 |
| Pubchem (sid): | 134971174 |
| Pherobase: | View |
| (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 |
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| iso | amyl propanoate |
| nat.iso | amyl propionate |
| iso | amyl propionate (natural) |
| iso | amyl propionate 1 peak |
| iso | amyl propionate FCC double peak |
| iso | amyl propionate natural |
| iso | amyl propionate, natural FCC |
| iso- | amyl-propionate FCC |
| 1- | butanol, 3-methyl-, propanoate |
| 3- | methyl butyl propanoate |
| 3- | methyl butyl propionate |
| 3- | methyl-1-butanol propanoate |
| 3- | methyl-1-butyl propanoate |
| 3- | methylbutyl propanoate |
| 3- | methylbutyl propionate |
| iso | pentyl alcohol propionate |
| iso | pentyl alcohol, propionate |
| iso | pentyl propanoate |
| iso | pentyl propionate |
| iso- | pentyl propionate |
| propanoato isoamile | |
| propionic acid isopentyl ester | |
| propionic acid, isopentyl ester |
