(Z)-3-hexen-1-yl acetate
cis-3-hexenyl acetate
Identification
| Name | (Z)-3-hexen-1-yl acetate |
| IUPAC | [(Z)-hex-3-enyl] acetate |
| CAS Number | 3681-71-8 |
| EINECS | 222-960-1 |
| FDA UNII | 6INA6GC5I6 |
| Molecular Formula | C8 H14 O2 |
| Molecular Weight | 142.19798000 |
| MDL Number | MFCD00036563 |
| Nikkaji Number | J118.141F |
| Beilstein | 1721854 |
| CoE Number | 644 |
Regulatory
| JECFA Food Flavoring | 134 cis-3-hexenyl acetate |
| DG SANTE Food Flavourings | 09.197 hex-3(cis)-enyl acetate |
| FEMA Number | 3171 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 3681-71-8 ; CIS-3-HEXEN-1-YL ACETATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.89600 to 0.90400 @ 25.00 °C., 0.89700 to 0.90500 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.456 to 7.522 |
| Pounds per Gallon - est. | 7.473 to 7.539 |
| Refractive Index | 1.42300 to 1.42800 @ 20.00 °C. |
| Boiling Point | 75.00 to 76.00 °C. @ 23.00 mm Hg, 165.00 to 167.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 1.219000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 4.8 ( Air = 1 ) |
| Flash Point | 135.00 °F. TCC ( 57.00 °C. ) |
| logP (o/w) | 2.415 (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 |
| Stability | alcoholic lotion |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | < 4 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Fresh green sweet fruity with apple, pear and melon nuances Sharp fruity-green, sweet, green banana-like green, light floreal fresh green sweet fruity apple pear melon green banana fruity-green floral fresh Fresh, green-banana, sweet, fruity-apple and pear. Diffusive Intensely green, freshly cut grass, slightly fruity Very powerful green note with a fruity fresh natural lift Fresh green sweet fruity banana apple grassy Powerful green, fruity, pear and banana note
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
at 10.00 ppm. Fruity, sweet, green, characteristic of pear fruity, apple, pear and tropical fruits Sharp fruity and green notes with a yellow fruits direction (Pear ...)
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 10 % solution: no irritation or sensitization. |
| 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 acetate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 640.00 (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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