Notes :
Green and fruity notes.
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | ||||||||||||||||||||||||||||||||||
| IUPAC name : | [(Z)-hex-3-enyl] acetate | |||||||||||||||||||||||||||||||||
| InChI : | InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4- | |||||||||||||||||||||||||||||||||
| InChIKey : | NPFVOOAXDOBMCE-PLNGDYQABN | |||||||||||||||||||||||||||||||||
| SMILES : | CC\C=C/CCOC(=O)C | |||||||||||||||||||||||||||||||||
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| fda reg : | unspecified | h. number : | 2915.39.9050 | |||||||||||||||||||||||||||||||
| organoleptics : | ||||||||||||||||||||||||||||||||||
| odor type : | green | |||||||||||||||||||||||||||||||||
| odor strength : | high , recommend smelling in a 10.00 % solution or less | |||||||||||||||||||||||||||||||||
| odor description : at 10.00 % in dipropylene glycol. | fresh green sweet fruity banana apple pear melon | |||||||||||||||||||||||||||||||||
| taste description³ : | at 10.00 ppm. Green fruity apple and pear, with fresh tropical nuances | |||||||||||||||||||||||||||||||||
| substantivity : | 4 Hour(s) | |||||||||||||||||||||||||||||||||
| properties : | ||||||||||||||||||||||||||||||||||
| appearence : | colorless clear liquid | |||||||||||||||||||||||||||||||||
| assay : | 98.00 - 100.00 % sum of isomers | |||||||||||||||||||||||||||||||||
| Food Chemicals Codex Listed : | Yes | |||||||||||||||||||||||||||||||||
| specific gravity : | 0.89600 - 0.90400 @ 25.00 °C. | |||||||||||||||||||||||||||||||||
| pounds per gallon - calc. : | 7.456 to 7.522 | |||||||||||||||||||||||||||||||||
| specific gravity : | 0.89700 - 0.90500 @ 20.00 °C. | |||||||||||||||||||||||||||||||||
| pounds per gallon - calc. : | 7.473 to 7.539 | |||||||||||||||||||||||||||||||||
| refractive index : | 1.42300 - 1.42800 @ 20.00 °C. | |||||||||||||||||||||||||||||||||
| boiling point : | 75.00 - 76.00 °C. @ 23.00 mm Hg | |||||||||||||||||||||||||||||||||
| boiling point : | 165.00 - 167.00 °C. @ 760.00 mm Hg | |||||||||||||||||||||||||||||||||
| acid value : | 1.00 max. KOH/g | |||||||||||||||||||||||||||||||||
| logp : | 2.42 | |||||||||||||||||||||||||||||||||
| shelf life : | 24.00 month(s) or longer if stored properly. | |||||||||||||||||||||||||||||||||
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. | |||||||||||||||||||||||||||||||||
| safety : | ||||||||||||||||||||||||||||||||||
| most important hazard(s) : | None - None | |||||||||||||||||||||||||||||||||
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Wohl,1974) Oral-Rat 5000.00 mg/kg (Sauer & Robbins, 1979) Oral-Rabbit 4750.00 mg/kg (Munch, 1972) | |||||||||||||||||||||||||||||||||
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 13,454,1975 | |||||||||||||||||||||||||||||||||
| Maximised Survey-derived Daily Intakes (MSDI) : | 640.00 (μg/capita/day) | |||||||||||||||||||||||||||||||||
| flash point ( Deg. F. ) : | 135.00 °F. TCC ( 57.22 °C. ) | |||||||||||||||||||||||||||||||||
| recommendation for (Z)-3-hexen-1-yl acetate usage levels up to : | ||||||||||||||||||||||||||||||||||
| 8.0000 % in the fragrance concentrate. | ||||||||||||||||||||||||||||||||||
| recommendation for (Z)-3-hexen-1-yl acetate usage levels up to : | ||||||||||||||||||||||||||||||||||
| 10.0000 ppm in the flavor. | ||||||||||||||||||||||||||||||||||
| safety links : | ||||||||||||||||||||||||||||||||||
| msds : | msds | |||||||||||||||||||||||||||||||||
| (EINECS) number : | 222-960-1 | |||||||||||||||||||||||||||||||||
| rtecs : | MP8425050 for 3681-71-8 | |||||||||||||||||||||||||||||||||
| chemidplus : | 003681718 | |||||||||||||||||||||||||||||||||
| epa-srs : | 3681-71-8 | |||||||||||||||||||||||||||||||||
| other : | ||||||||||||||||||||||||||||||||||
| C of A | ||||||||||||||||||||||||||||||||||
| references : | ||||||||||||||||||||||||||||||||||
| pubchem : | 162279 | |||||||||||||||||||||||||||||||||
| NIST Chemistry WebBook : | 3474728773 | |||||||||||||||||||||||||||||||||
| reference : | Mosciano, Gerard P&F 14, No. 6, 47, (1989)³ | |||||||||||||||||||||||||||||||||
| synonyms : | |
| (Z)- | hex-3-enyl acetate |
| (Z)-3- | hexen-1-ol acetate |
| (Z)-3- | hexen-1-yl acetate |
| cis-3- | hexen-1-yl acetate |
| (Z)-3- | hexen-1-yl ethanoate |
| cis-3- | hexen-1-yl ethanoate |
| (Z)-3- | hexenyl acetate |
| cis-3- | hexenyl acetate |
| leaf acetate | |
| verdural extra | |
| soluble in : | |
| alcohol | |
| paraffin oil, slightly | |
| propylene glycol | |
| water, 0.9 g/L @ 20C | |
| insoluble in : | |
| water | |
| stability : | |
| alcoholic lotion | |
| antiperspirant | |
| deo stick | |
| detergent perborate | |
| fabric softener | |
| shampoo | |
| soap | |
| (odor and/or flavor) blends with : | |
| algae absolute | |
| allyl amyl glycolate | |
| iso | amyl acetate |
| iso | amyl benzoate |
| iso | amyl butyrate |
| iso | amyl isovalerate |
| para- | anisyl acetate |
| benzaldehyde | |
| benzyl acetate | |
| benzyl propionate | |
| bergamot oil | |
| blood orange oil | |
| bois de rose oil | |
| citronellyl acetate | |
| citrus carbaldehyde | |
| clary sage oil | |
| cyclohexyl ethyl alcohol | |
| dihydromyrcenol | |
| dimethyl benzyl carbinol | |
| dimethyl benzyl carbinyl butyrate | |
| ethyl cinnamate | |
| ethyl heptanoate | |
| ethyl maltol | |
| geranyl acetate | |
| (E)- | geranyl acetone |
| grapefruit oil | |
| grapefruit pentanol | |
| green acetate | |
| (Z)-3- | hexen-1-ol |
| (Z)-3- | hexen-1-yl 2-methyl butyrate |
| (Z)-3- | hexen-1-yl butyrate |
| (Z)-3- | hexen-1-yl propionate |
| hexyl 2-methyl butyrate | |
| hexyl tiglate | |
| lavender absolute | |
| leaf acetal | |
| leerall | |
| linalool | |
| laevo- | linalool |
| linalool oxide | |
| melon nonenoate | |
| methyl 2-methyl valerate | |
| methyl dihydrojasmonate | |
| methyl heptine carbonate | |
| methyl octine carbonate | |
| neryl acetate | |
| (E,Z)-2,6- | nonadien-1-al |
| (E,Z)-2,6- | nonadien-1-ol |
| nonanal | |
| nonanol | |
| octanal | |
| peony alcohol | |
| petitgrain oil | |
| phenethyl acetate | |
| phenethyl isobutyrate | |
| phenethyl isovalerate | |
| phenethyl propionate | |
| phenyl acetaldehyde dimethyl acetal | |
| 3- | phenyl propionaldehyde |
| rose butanoate | |
| spruce oil | |
| styralyl acetate | |
| alpha- | terpineol |
| tetrahydromyrcenol | |
| gamma- | undecalactone |
| violet leaf absolute | |
| violet methyl carbonate | |
| watermelon ketone | |
| woody amylene | |
| (odor and/or flavor) used in : | |
| agrumen | |
| aldehydic | |
| angel | |
| apple blossom | |
| apple crabapple | |
| apple green apple | |
| apple red apple | |
| ash mountain ash | |
| banana | |
| bark | |
| blueberry | |
| blueberry whortleberry red whortleberry | |
| boronia | |
| bouquet | |
| boxwood | |
| boysenberry | |
| briar sweet briar eglantine | |
| butterscotch | |
| candy | |
| cassie acacia farnesiana | |
| cassis black currant bud | |
| clematis | |
| cognac | |
| crabapple blossom | |
| cream ice cream | |
| dillenia | |
| diorissimo | |
| durian | |
| exotic | |
| fern fougere | |
| fetes | |
| fig | |
| florida breeze | |
| fresh | |
| fruit | |
| gooseberry | |
| grape | |
| grass green grass | |
| guava | |
| herbal | |
| hibiscus | |
| hollyberry | |
| huckleberry bilberry | |
| hugonia | |
| hyacinth jacinthe | |
| hydrangea | |
| iris blossom | |
| jackfruit | |
| jasmin | |
| kewda | |
| kiwi | |
| kiwi blossom | |
| licorice | |
| lilac lilas syringa | |
| lily | |
| loganberry dewberry | |
| lotus | |
| lychee soapberry | |
| magnolia | |
| mango | |
| mango blossom | |
| melon | |
| melon watermelon muskmelon cantaloupe | |
| mimosa wattle | |
| muguet lily of the valley | |
| narcissus narcisse | |
| natural | |
| ocean sea | |
| orchid | |
| pansy | |
| passion blossom | |
| passion fruit | |
| peach | |
| peach blossom | |
| pear | |
| pear blossom | |
| petunia | |
| pine scotch pine | |
| pineapple | |
| plum | |
| plum blossom | |
| plum mirabille blossom | |
| quince | |
| raspberry | |
| reseda mignonette | |
| rhubarb | |
| rose wild rose | |
| spearmint | |
| starfruit | |
| strawberry | |
| sweet pea pois de senteur | |
| tea | |
| tea black tea | |
| topnotes | |
| tropical | |
| tulip | |
| valerian | |
| violet | |
| wintergreen | |
| natural occurrence in : | |
| apple | |
| bilberry | |
| data page | chamomile flower oil germany @ trace% |
| data page | champaca concrete @ 0.01% |
| data page | champaca concrete @ trace% |
| data page | cornmint oil india @ 0.04% |
| guava | |
| data page | guava fruit headspace reunion @ 1.30% |
| data page | guava fruit oil reunion @ 0.50% |
| data page | guava leaf oil cuba @ trace% |
| data page | helichrysum italicum oil america @ 0.05% |
| data page | jasmin sambac absolute egypt @ 0.14% |
| passion fruit | |
| data page | pine needle oil dwarf @ trace% |
| strawberry | |
| tea | |
| wine | |
| data page | ylang ylang oil @ 0.16% |
| data page | ylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.02% |