isobutyl furyl propionate
isobutyl 3-(2-furan)propionate
Identification
| Name | isobutyl furyl propionate |
| IUPAC | 2-methylpropyl 3-(furan-2-yl)propanoate |
| CAS Number | 105-01-1 |
| EINECS | 203-261-0 |
| FDA UNII | VTW5O0BY7T |
| Molecular Formula | C11 H16 O3 |
| Molecular Weight | 196.24612000 |
| MDL Number | MFCD00047069 |
| Nikkaji Number | J69.816D |
| Beilstein | 4991049 |
| CoE Number | 2093 |
| XlogP3 | 2.30 (est) |
Regulatory
| JECFA Food Flavoring | 1514 isobutyl 3-(2-furan)propionate |
| DG SANTE Food Flavourings | 13.024 isobutyl 3-(2-furan)propionate |
| FEMA Number | 2198 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 105-01-1 ; ISOBUTYL 2-FURANPROPIONATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.00700 to 1.01300 @ 25.00 °C., 0.99900 to 1.00700 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.379 to 8.429 |
| Pounds per Gallon - est. | 8.322 to 8.389 |
| Refractive Index | 1.53100 to 1.53700 @ 20.00 °C. |
| Boiling Point | 105.00 °C. @ 3.00 mm Hg |
| Acid Value | 5.00 max. KOH/g |
| Vapor Pressure | 0.025000 mmHg @ 25.00 °C. (est) |
| Flash Point | 212.00 °F. TCC ( 100.00 °C. ) |
| logP (o/w) | 2.878 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 10.00 % in dipropylene glycol. |
| Taste Description | fruity |
Safety Information
| Human Experience | 2 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 1950 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 2000 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for isobutyl furyl propionate usage levels up to | 6.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 24.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1100 (μg/person/day) |
| Threshold of Concern | 90 (μg/person/day) |
| Structure Class | III |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | 4.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | - |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Synerzine, Inc.
Innovation. Customization. Aroma Ingredients.
Synerzine is a leading supplier of flavor and fragrance ingredients.
Potential Uses
Natural Occurrence
Synonyms
iso
butyl 2-furan propionate
iso
butyl 2-furanpropionate
iso
butyl 3-(2-furan) propionate
iso
butyl 3-(2-furan)propionate
iso
butyl 3-(2-furyl) propanoate
iso
butyl 3-(2-furyl)propanoate
iso
butyl 3,2-furyl propanoate
iso
butyl 3(2-furan) propionate
iso
butyl furan-2-propionate
iso
butyl furan-2-ylpropionate
iso
butyl furfuryl acetate
iso
butyl furfurylacetate
iso
butyl furylpropionate
iso
butyl-2-furan propionate
2-
furan propanoic acid 2-methyl propyl ester
2-
furan propionic acid isobutyl ester
2-
furanpropanoic acid, 2-methylpropyl ester
2-
furanpropionic acid, isobutyl ester
2-
methyl propyl furan-2-propionate
2-
methylpropyl 2-furanpropanoate
2-
methylpropyl 3-(2-furyl)propanoate
2-
methylpropyl 3-(furan-2-yl)propanoate
2-
methylpropyl 3-furan-2-ylpropanoate
Info:
substances containing furan substitution