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| IUPAC name : | 3-methylbut-2-enyl 2-methylpropanoate |
| InChI : | InChI=1/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h5,8H,6H2,1-4H3 |
| InChIKey : | YSJHMPXIMIOXGU-UHFFFAOYAM |
| SMILES : | CC(C)C(=O)OCC=C(C)C |
| (EINECS) number : | 278-516-2 |
| cas number : | 76649-23-5 |
| fema number : | 4206 |
| fl. number : | 09.695 |
| molar refractivity : | 45.37 ± 0.3 cm3 |
| parachor : | 395.7 ± 4.0 cm3 |
| index of refraction : | 1.433 ± 0.02 |
| surface tension : | 26.5 ± 3.0 dyne/cm |
| density : | 0.895 ± 0.06 g/cm3 |
| polarizability : | 17.98 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 156.2221400 |
| formula : | C9 H16 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity butter |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88700 - 0.89600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.381 to 7.456
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| refractive index : | 1.42700 - 1.43400 @ 20.00 °C.
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| boiling point : | 78.00 °C. @ 15.00 mm Hg
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| boiling point : | 189.00 - 190.00 °C. @ 760.00 mm Hg
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| logp : | 2.95 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 145.00 °F. TCC ( 62.78 °C. )
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| recommendation for prenyl isobutyrate usage levels up to : |
| | 8.0000 % 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 : 22. |
| 4206 | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 100.00000 |
| beverages(nonalcoholic) : | 0.30000 | 3.00000 |
| beverages(alcoholic) : | 1.50000 | 15.00000 |
| breakfast cereal : | 0.30000 | 1.50000 |
| cheese : | - | - |
| chewing gum : | 15.00000 | 100.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 1.50000 | 10.00000 |
| egg products : | 1.50000 | 10.00000 |
| fats / oils : | 1.50000 | 10.00000 |
| fish products : | - | - |
| frozen dairy : | 6.00000 | 60.00000 |
| fruit ices : | 3.00000 | 30.00000 |
| gelatins / puddings : | 3.00000 | 30.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 5.00000 | 50.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | 0.60000 | 6.00000 |
| jams / jellies : | 3.00000 | 30.00000 |
| meat products : | - | - |
| milk products : | 0.60000 | 60.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 1.50000 | 15.00000 |
| snack foods : | - | - |
| soft candy : | 3.00000 | 30.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 278-516-2 |
| chemidplus : | 076649235 |
| epa-srs : | 76649-23-5 |
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| other : | |
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| references : | |
| fl. number : | 09.695 |
| pubchem : | 750883 |
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