isobutyl hexanoate
isobutyl caproate
Identification
| Name | isobutyl hexanoate |
| IUPAC | 2-methylpropyl hexanoate |
| CAS Number | 105-79-3 |
| EINECS | 203-332-6 |
| FDA UNII | 2A3X4W9GZ0 |
| Molecular Formula | C10 H20 O2 |
| Molecular Weight | 172.26780000 |
| MDL Number | MFCD00048870 |
| Nikkaji Number | J3.237I |
| CoE Number | 314 |
Regulatory
| JECFA Food Flavoring | 166 isobutyl hexanoate |
| DG SANTE Food Flavourings | 09.064 isobutyl hexanoate |
| FEMA Number | 2202 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 105-79-3 ; ISOBUTYL HEXANOATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.85300 to 0.85700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.098 to 7.131 |
| Refractive Index | 1.41200 to 1.41600 @ 20.00 °C. |
| Boiling Point | 176.00 to 177.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.413000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 5.9 ( Air = 1 ) |
| Flash Point | 169.00 °F. TCC ( 76.11 °C. ) |
| logP (o/w) | 3.686 (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 Strength | medium |
| Substantivity | 6 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. at 2.00 %. Apple, Pineapple, Fruity
|
| Odor sample from | Vigon International |
| Taste Description |
fruity pineapple green apple skin tropical ripe fruit foliage estery at 10.00 ppm.
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 20 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 mg/kg |
| 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 isobutyl hexanoate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 6.10 (μg/capita/day) |
| 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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