hexyl 2-methyl-4-pentenoate
4-pentenoic acid, 2-methyl-, hexyl ester
Identification
| Name | hexyl 2-methyl-4-pentenoate |
| IUPAC | 2-methylhexyl pent-4-enoate |
| CAS Number | 58031-03-1 |
| FDA UNII | MGQ3MUU64F |
| Molecular Formula | C12 H22 O2 |
| Molecular Weight | 198.30574000 |
Regulatory
| FEMA Number | 3693 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 977101-05-5 ; HEXYL 2-METHYL-3(OR 4)-PENTENOATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
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-methyl-4-pentenoate usage levels up to | 2.0000 % in the fragrance concentrate. |
| 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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Potential Uses
Natural Occurrence
Synonyms
hexyl 2-methyl-4-penten-1-oate
(+/-)-
hexyl 2-methyl-4-pentenoate
N-
hexyl 2-methyl-4-pentenoate
hexyl 2-methyl-4-pentenoate, (+/-)-
hexyl 2-methylpent-4-en-1-oate
hexyl-2-methyl-4-pentenoate
2-
methyl-4-pentenoic acid hexyl ester
2-
methylhexyl pent-4-enoate
4-
pentenoic acid 2-methyl-hexyl ester
4-
pentenoic acid, 2-methyl-, hexyl ester
US Patents:
3,966,799 - Alkyl esters of 2-methyl-4-pentenoic acid
US Patents:
3,976,801 - Flavoring compositions containing alkyl esters of 2-methyl-4-pentenoic acid