hexyl 2-furoate
2-furancarboxylic acid, hexyl ester
Identification
| Name | hexyl 2-furoate |
| IUPAC | hexyl furan-2-carboxylate |
| CAS Number | 39251-86-0 |
| EINECS | 254-377-3 |
| FDA UNII | 664Q8652YP |
| Molecular Formula | C11 H16 O3 |
| Molecular Weight | 196.24612000 |
| MDL Number | MFCD00016581 |
| Nikkaji Number | J261.350F |
| CoE Number | 361 |
| XlogP3 | 3.50 (est) |
Regulatory
| JECFA Food Flavoring | 749 hexyl 2-furoate |
| DG SANTE Food Flavourings | 13.005 hexyl 2-furoate |
| FEMA Number | 2571 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 39251-86-0 ; HEXYL 2-FUROATE |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.01700 @ 25.00 °C. |
| Boiling Point | 105.00 °C. @ 1.00 mm Hg, 252.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.008000 mmHg @ 25.00 °C. (est) |
| Flash Point | 235.00 °F. TCC ( 112.78 °C. ) |
| logP (o/w) | 3.650 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 10.00 % in dipropylene glycol. Floral, waxy and green with sweet pear nuances
|
| Taste Description | at 20.00 ppm. |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| 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 hexyl 2-furoate usage levels up to | 4.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.061 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/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 | - |
| 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 | - |
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