(Z)-3-hexen-1-yl isovalerate
cis-3-hexenyl isovalerate
Identification
| Name | (Z)-3-hexen-1-yl isovalerate |
| IUPAC | [(Z)-hex-3-enyl] 3-methylbutanoate |
| CAS Number | 35154-45-1 |
| EINECS | 252-404-3 |
| FDA UNII | L9KN8775G8 |
| Molecular Formula | C11 H20 O2 |
| Molecular Weight | 184.27880000 |
| MDL Number | MFCD00036533 |
| Nikkaji Number | J41.509J |
| Beilstein | 2433447 |
Regulatory
| FEMA Number | 3498 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.87400 to 0.87600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.273 to 7.289 |
| Refractive Index | 1.42900 to 1.43500 @ 20.00 °C. |
| Boiling Point | 98.00 °C. @ 15.00 mm Hg, 199.00 °C. @ 760.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 0.061000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 6.3 ( Air = 1 ) |
| Flash Point | 140.00 °F. TCC ( 60.00 °C. ) |
| logP (o/w) | 3.772 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 4 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Green, fruity, floral and dirty Fresh green apple with notes reminiscent of fresh blueberries Sweet green apple odor with fruit effect Powerful green apple like odor with interesting fruity effect in fragrances Powerful green apple like odor with interesting fruity effect in fragrances Fresh green apple fruity tropical pineapple
|
| Odor sample from | SCM Glidco Organics |
| Taste Description |
green apple skin fruity tropical grassy green bean at 10.00 ppm. Valerian type notes, cheese, ripe fruity notes Powerful fruity green taste, reminiscent of apple Powerful green apple like green apple skin fruity tropical grassy green bean
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 > 4900 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 (Z)-3-hexen-1-yl isovalerate usage levels up to | 4.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 8.00 (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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