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| IUPAC name : | [(E)-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-SNAWJCMRBU |
| SMILES : | CC\C=C\CCOC(=O)C |
| (EINECS) number : | 222-962-2 |
| cas number : | 3681-82-1 |
| fema number : | 4413 |
| fl. number : | 09.928 |
| molar refractivity : | 40.94 ± 0.3 cm3 |
| parachor : | 362.2 ± 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 : | 2.20 |
| molecular weight : | 142.1955600 |
| formula : | C8 H14 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | sharp fruity green banana pear |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88900 - 0.89600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.397 to 7.456
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| refractive index : | 1.42200 - 1.43000 @ 20.00 °C.
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| boiling point : | 174.00 - 175.00 °C. @ 760.00 mm Hg
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| logp : | 2.42 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 140.00 °F. TCC ( 60.00 °C. )
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| recommendation for (E)-3-hexen-1-yl acetate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| 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 : 23. |
| 4413 | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | 2.00000 | 10.00000 |
| beverages(alcoholic) : | 2.00000 | 10.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 5.00000 | 25.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 5.00000 | 25.00000 |
| 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 : | 5.00000 | 25.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 222-962-2 |
| chemidplus : | 001708823 |
| epa-srs : | 3681-82-1 |
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| other : | |
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| references : | |
| pubchem : | 684674 |
| NIST Chemistry WebBook : | 3296368964 |
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