hexyl 2-methyl-3-pentenoate
hexyl 2-methylpent-3-enoate
Identification
| Name | hexyl 2-methyl-3-pentenoate |
| CAS Number | 85508-08-3 |
| EINECS | 287-432-5 |
| FDA UNII | Search |
| Molecular Formula | C12 H22 O2 |
| Molecular Weight | 198.30574000 |
| Nikkaji Number | J310.588A |
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 | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86400 to 0.88400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.189 to 7.356 |
| Refractive Index | 1.42400 to 1.44400 @ 20.00 °C. |
| Boiling Point | 80.00 °C. @ 10.00 mm Hg, 247.00 to 248.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.026000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 214.00 °F. TCC ( 101.11 °C. ) |
| logP (o/w) | 4.532 (est) |
| Shelf Life | 60.00 month(s) or longer if stored properly. |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 19 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. A delicately tropical aroma reminiscent of melon or muscat grape with peppery back notes
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
fruity tropical pear green melon rindy spicy fruity
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| 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 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 2-methyl pent-3-en-1-oate
hexyl 2-methyl-3-pentenoate (high cis)
hexyl 2-methylpent-3-en-1-oate
hexyl 2-methylpent-3-enoate
hexyl-2-methyl-3-pentenoate
2,3&4-
methyl pentenoic acid hexyl ester
US Patents:
3,931,293 - Processes for producing cis alkyl-2-methyl-3-pentenoates and isomer mixtures containing high proportions of cis alkyl-2-methyl-3-pentenoates