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| IUPAC name : | [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate |
| InChI : | InChI=1/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+ |
| InChIKey : | PEQMAZJTEUEQJP-JLHYYAGUBR |
| SMILES : | CCC(C)C(=O)OC\C=C(/C)\CCC=C(C)C |
| (EINECS) number : | 272-100-4 |
| cas number : | 68705-63-5 |
| fema number : | 4122 |
| jecfa number : | 1820 |
| fl. number : | 09.382 |
| molar refractivity : | 73.07 ± 0.3 cm3 |
| parachor : | 617.8 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 28.7 ± 3.0 dyne/cm |
| density : | 0.893 ± 0.06 g/cm3 |
| polarizability : | 28.96 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 238.3657400 |
| formula : | C15 H26 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity apple rose |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88700 - 0.89700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.381 to 7.464
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| refractive index : | 1.43900 - 1.44300 @ 20.00 °C.
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| boiling point : | 312.00 - 313.00 °C. @ 760.00 mm Hg
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| logp : | 5.51 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 194.00 °F. TCC ( 90.00 °C. )
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| recommendation for geranyl 2-methyl butyrate 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. |
| 4122 | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 50.00000 |
| beverages(nonalcoholic) : | 5.00000 | 25.00000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 5.00000 | 25.00000 |
| cheese : | 7.00000 | 35.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 5.00000 | 25.00000 |
| confectionery froastings : | 10.00000 | 50.00000 |
| egg products : | - | - |
| fats / oils : | 5.00000 | 25.00000 |
| fish products : | 2.00000 | 10.00000 |
| frozen dairy : | 7.00000 | 35.00000 |
| fruit ices : | 10.00000 | 50.00000 |
| gelatins / puddings : | 5.00000 | 25.00000 |
| granulated sugar : | - | - |
| gravies : | 20.00000 | 100.00000 |
| hard candy : | - | - |
| imitation dairy : | 7.00000 | 35.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | 5.00000 | 25.00000 |
| meat products : | 2.00000 | 10.00000 |
| milk products : | 7.00000 | 35.00000 |
| nut products : | - | - |
| other grains : | 5.00000 | 25.00000 |
| poultry : | 2.00000 | 10.00000 |
| processed fruits : | 7.00000 | 35.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 25.00000 |
| snack foods : | 10.00000 | 50.00000 |
| soft candy : | - | - |
| soups : | 5.00000 | 25.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | 5.00000 | 25.00000 |
| safety links : | |
| (EINECS) number : | 272-100-4 |
| chemidplus : | 068705635 |
| epa-srs : | 68705-63-5 |
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| other : | |
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| references : | |
| jecfa number : | 1820 |
| fl. number : | 09.382 |
| pubchem : | 688630 |
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