(Z)-3-hexen-1-yl butyrate
cis-3-hexenyl butyrate
Identification
| Name | (Z)-3-hexen-1-yl butyrate |
| IUPAC | [(Z)-hex-3-enyl] butanoate |
| CAS Number | 16491-36-4 |
| EINECS | 240-553-7 |
| FDA UNII | O47B839622 |
| Molecular Formula | C10 H18 O2 |
| Molecular Weight | 170.25186000 |
| MDL Number | MFCD00036540 |
| Nikkaji Number | J118.157B |
| CoE Number | 11859 |
Regulatory
| JECFA Food Flavoring | 157 cis-3-hexenyl butyrate |
| DG SANTE Food Flavourings | 09.270 (Z)-hex-3-enyl butyrate |
| FEMA Number | 3402 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 16491-36-4 ; CIS-3-HEXENYL BUTYRATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.87800 to 0.89200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.306 to 7.422 |
| Refractive Index | 1.42750 to 1.43500 @ 20.00 °C. |
| Boiling Point | 96.00 °C. @ 20.00 mm Hg, 191.00 to 192.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.135000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 174.00 °F. TCC ( 78.89 °C. ) |
| logP (o/w) | 3.419 (est) |
| Shelf Life | 18.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 216 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Fresh, green apple, fruity and vegetative with fleshy grape nuances Green, sweet, buttery, fruity, with strawberry and apple notes fresh green-fruity grass vegetable oily Powerful fruity-winey green Cognac-Brandy-like Powerful green fruity brandy like with buttery undertone Fresh green apple fruity wine metallic buttery
|
| Odor sample from | Bell Flavors & Fragrances Inc. |
| Taste Description |
at 5.00 ppm. Sweet green with dairy notes Green, sweet, fruity and buttery notes Green, fruity and dairy notes Slightly green fruity, winey, pineapple
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 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 butyrate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 160.00 (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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