isobutyl undecylenate
isobutyl 10-undecenoate
Identification
| Name | isobutyl undecylenate |
| IUPAC | 2-methylpropyl undec-10-enoate |
| CAS Number | 5421-27-2 |
| EINECS | 226-538-8 |
| FDA UNII | 6G584PZ24X |
| Molecular Formula | C15 H28 O2 |
| Molecular Weight | 240.38656000 |
| Nikkaji Number | J218.000F |
| XlogP3 | 5.50 (est) |
Regulatory
| JECFA Food Flavoring | 1634 isobutyl 10-undecenoate |
| FEMA Number | 4358 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5421-27-2 ; ISOBUTYL 10-UNDECENOATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86800 to 0.87300 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.231 to 7.273 |
| Refractive Index | 1.43800 to 1.44200 @ 20.00 °C. |
| Boiling Point | 264.00 to 266.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | 258.00 °F. TCC ( 125.56 °C. ) |
| logP (o/w) | 5.825 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| European information | Most important hazard(s): |
| 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 isobutyl undecylenate usage levels up to | 8.0000 % in the fragrance concentrate. |
| baked goods | 20.00000 |
| beverages(nonalcoholic) | 0.50000 |
| beverages(alcoholic) | 2.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 0.10000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | 2.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 7.00000 |
| 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 | 5.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | 3.00000 |
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Potential Uses
Natural Occurrence
Synonyms
iso
butyl 10-undecenoate
iso
butyl undec-10-enoate
2-
methylpropyl undec-10-enoate
10-
undecenoic acid 2-methyl propyl ester
10-
undecenoic acid 2-methylpropyl ester
10-
undecenoic acid, 2-methylpropyl ester
10-
undecenoic acid,2-methylpropyl ester
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