| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | [(Z)-hex-3-enyl] pentanoate |
| InChI : | InChI=1/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5+ |
| InChIKey : | XPFTVTFOOTVHIA-FNORWQNLBR |
| (EINECS) number : | 252-761-5 |
| cas number : | 35852-46-1 |
| fema number : | 3936 |
| coe number : | 10686 |
| jecfa number : | 1278 |
| fl. number : | 09.571 |
| molar refractivity : | 54.84 ± 0.3 cm3 |
| parachor : | 481.7 ± 4.0 cm3 |
| index of refraction : | 1.442 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.889 ± 0.06 g/cm3 |
| polarizability : | 21.74 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 184.2753000 |
| formula : | C11 H20 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | green |
| odor strength : | low ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | green fruity apple pear banana kiwi |
| taste description³ : | at 1.00 - 10.00 ppm.
Green, with fresh to unripe juicy fruity notes reminiscent of apple, pear, kiwi, with tropical nuances |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87900 - 0.88500 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.314 to 7.364
|
| refractive index : | 1.43200 - 1.43800 @ 20.00 °C.
|
| boiling point : | 108.00 - 109.00 °C. @ 20.00 mm Hg
|
| logp : | 4.01 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno, 1978d)
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit 5.00 gm/kg
|
| Maximised Survey-derived Daily Intakes (MSDI) : | 6.00 (μg/capita/day) |
| | |
| flash point ( Deg. F. ) : | 192.00 °F. TCC ( 88.89 °C. )
|
| | |
| recommendation for (Z)-3-hexen-1-yl valerate usage levels up to : |
| | 5.0000 % 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 : 19. Updated in publication number(s) : 20 |
| 3936 | average usual ppm | average maximum ppm |
| baked goods : | 15.00000 | 30.00000 |
| beverages(nonalcoholic) : | 0.50000 | 3.00000 |
| beverages(alcoholic) : | 4.00000 | 8.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 5.00000 | 30.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 7.00000 | 15.00000 |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 3.00000 | 18.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 0.50000 | 3.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 252-761-5 |
| chemidplus : | 035852461 |
| epa-srs : | 35852-46-1 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 695546 |
| NIST Chemistry WebBook : | 2433808522 |
| | |
| reference : | Mosciano, Gerard P&F 25, No. 5, 72, (2000)³ |