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| IUPAC name : | [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 2-methylpropanoate |
| InChI : | InChI=1/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m1/s1 |
| InChIKey : | KRKIAJBQOUBNSE-GYSYKLTIBX |
| SMILES : | CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C |
| (EINECS) number : | 287-872-8 |
| cas number : | 85586-67-0 |
| fema number : | 4146 |
| jecfa number : | 1863 |
| fl. number : | 09.584 |
| molar refractivity : | 64.58 ± 0.4 cm3 |
| parachor : | 543.7 ± 6.0 cm3 |
| index of refraction : | 1.478 ± 0.03 |
| surface tension : | 32.2 ± 5.0 dyne/cm |
| density : | 0.98 ± 0.1 g/cm3 |
| polarizability : | 25.60 ± 0.5 10-24cm3 |
| xlogp : | 4.00 |
| molecular weight : | 224.3391600 |
| formula : | C14 H24 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | fir needle fruity |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95500 - 0.96800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.947 to 8.055
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| refractive index : | 1.45600 - 1.46600 @ 20.00 °C.
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| boiling point : | 244.00 - 245.00 °C. @ 760.00 mm Hg
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| boiling point : | 131.00 - 133.00 °C. @ 19.00 mm Hg
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| logp : | 4.48 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 222.00 °F. TCC ( 105.56 °C. )
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| recommendation for isobornyl isobutyrate usage levels up to : |
| | 4.0000 % 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. |
| 4146 | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 50.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 5.00000 | 25.00000 |
| cheese : | 7.00000 | 35.00000 |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| 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 : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 20.00000 | 100.00000 |
| imitation dairy : | 7.00000 | 35.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 5.00000 | 25.00000 |
| milk products : | 7.00000 | 35.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | 2.00000 | 10.00000 |
| processed fruits : | 7.00000 | 35.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 25.00000 |
| snack foods : | - | - |
| soft candy : | 20.00000 | 100.00000 |
| soups : | 5.00000 | 25.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | 5.00000 | 25.00000 |
| safety links : | |
| (EINECS) number : | 287-872-8 |
| chemidplus : | 085586670 |
| epa-srs : | 85586-67-0 |
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| other : | |
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| references : | |
| jecfa number : | 1863 |
| fl. number : | 09.584 |
| pubchem : | 751769 |
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