hexyl (E)-2-methyl-3-pentenoate
hexyl 2-methyl-3&4-pentenoate (mixture)
Identification
| Name | hexyl (E)-2-methyl-3-pentenoate |
| IUPAC | hexyl (E)-2-methylpent-3-enoate |
| CAS Number | 58625-95-9 |
| FDA UNII | 6ZQ9AGD3IS |
| Molecular Formula | C12 H22 O2 |
| Molecular Weight | 198.30574000 |
| Nikkaji Number | J310.588A |
Regulatory
| JECFA Food Flavoring | 352 hexyl 2-methyl-3&4-pentenoate (mixture) |
| DG SANTE Food Flavourings | 09.546 hexyl-2-methylpent-(3 and 4)-enoate |
| 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 clear liquid (est) |
| Assay | 99.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.87100 to 0.87600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.248 to 7.289 |
| Refractive Index | 1.43100 @ 20.00 °C. |
| Boiling Point | 57.00 to 61.00 °C. @ 2.00 mm Hg, 245.00 to 246.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.026000 mmHg @ 25.00 °C. (est) |
| Flash Point | 176.00 °F. TCC ( 80.00 °C. ) |
| logP (o/w) | 4.532 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
tropical A delicately tropical aroma reminiscent of melon or muscat grape with peppery back notes.
|
| Taste Description | tropical |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M/F] > 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 hexyl (E)-2-methyl-3-pentenoate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.024 (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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Potential Uses
Natural Occurrence
Synonyms
hexyl (3E)-2-methylpent-3-enoate
hexyl (E)-2-methyl-3(4)-pentenoate
hexyl (E)-2-methylpent-3-en-1-oate
hexyl (E)-2-methylpent-3-enoate
hexyl 2-methyl-3-pentenoate (high cis)
hexyl 2-methyl-3&4-pentenoate (mixture)
hexyl-2-methylpent-(3 and 4)-enoate
(E)-2,3-
methyl pentenoic acid hexyl ester
3-
pentenoic acid, 2-methyl-, hexyl ester, (3E)-
3-
pentenoic acid, 2-methyl-, hexyl ester, (E)-
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