| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | ethyl (Z)-hex-3-enoate |
| InChI : | InChI=1/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5- |
| InChIKey : | VTSFIPHRNAESED-WAYWQWQTBV |
| SMILES : | CC\C=C/CC(=O)OCC |
| (EINECS) number : | 264-724-0 |
| cas number : | 64187-83-3 |
| fema number : | 4112 |
| jecfa number : | 1626 |
| fl. number : | 09.939 |
| molar refractivity : | 40.94 ± 0.3 cm3 |
| parachor : | 362.3 ± 4.0 cm3 |
| index of refraction : | 1.432 ± 0.02 |
| surface tension : | 27.8 ± 3.0 dyne/cm |
| density : | 0.901 ± 0.06 g/cm3 |
| polarizability : | 16.23 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 142.1955600 |
| formula : | C8 H14 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2916.19.4000 |
| organoleptics : | |
| odor type : | tropical |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | green pear apple |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89600 - 0.90200 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.456 to 7.506
|
| refractive index : | 1.42300 - 1.42900 @ 20.00 °C.
|
| boiling point : | 90.00 °C. @ 50.00 mm Hg
|
| boiling point : | 169.00 - 170.00 °C. @ 760.00 mm Hg
|
| logp : | 2.59 |
| shelf life : | 36.00 month(s) or longer if stored properly. |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 130.00 °F. TCC ( 54.44 °C. )
|
| | |
| recommendation for ethyl (Z)-3-hexenoate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
|
| | |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| publication number : 22. |
| 4112 | average usual ppm | average maximum ppm |
| baked goods : | 5.00000 | 20.00000 |
| beverages(nonalcoholic) : | 2.00000 | 10.00000 |
| beverages(alcoholic) : | 5.00000 | 20.00000 |
| breakfast cereal : | 2.00000 | 10.00000 |
| cheese : | - | - |
| chewing gum : | 5.00000 | 25.00000 |
| condiments / relishes : | 2.00000 | 20.00000 |
| confectionery froastings : | 5.00000 | 25.00000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 5.00000 | 20.00000 |
| fruit ices : | 5.00000 | 20.00000 |
| gelatins / puddings : | 5.00000 | 20.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 10.00000 | 40.00000 |
| imitation dairy : | 2.00000 | 10.00000 |
| instant coffee / tea : | 2.00000 | 10.00000 |
| jams / jellies : | 5.00000 | 25.00000 |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | 1.00000 | 10.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 25.00000 | 100.00000 |
| snack foods : | - | - |
| soft candy : | 10.00000 | 40.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | 2.00000 | 10.00000 |
| safety links : | |
| (EINECS) number : | 264-724-0 |
| chemidplus : | 064187833 |
| epa-srs : | 64187-83-3 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 693242 |
| NIST Chemistry WebBook : | 3569243062 |
| | |