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| IUPAC name : | 4,5-dimethyl-2-(2-methylpropyl)-1,3-oxazole |
| InChI : | InChI=1/C9H15NO/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3 |
| InChIKey : | SNRVAFQIIFPYDR-UHFFFAOYAP |
| SMILES : | CC1=C(OC(=N1)CC(C)C)C |
| cas number : | 26131-91-9 |
| fema number : | 4397 |
| jecfa number : | 1556 |
| fl. number : | 13.195 |
| molar refractivity : | 45.06 ± 0.3 cm3 |
| parachor : | 384.2 ± 4.0 cm3 |
| index of refraction : | 1.461 ± 0.02 |
| surface tension : | 29.9 ± 3.0 dyne/cm |
| density : | 0.933 ± 0.06 g/cm3 |
| polarizability : | 17.86 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 153.2215000 |
| formula : | C9 H15 N O |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | burnt |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | burnt roasted |
| properties : | |
| appearence : | pale yellow to yellow clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91000 - 0.91600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.572 to 7.622
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| refractive index : | 1.43900 - 1.44700 @ 20.00 °C.
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| boiling point : | 227.00 °C. @ 760.00 mm Hg
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| logp : | 2.50 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 166.00 °F. TCC ( 74.44 °C. )
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| recommendation for 2-isobutyl-4,5-dimethyl oxazole usage levels up to : |
| | not for fragrance use.
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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. |
| 4397 | average usual ppm | average maximum ppm |
| baked goods : | 2.00000 | 10.00000 |
| beverages(nonalcoholic) : | 0.20000 | 1.00000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 0.20000 | 1.00000 |
| cheese : | 0.40000 | 2.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 0.20000 | 1.00000 |
| confectionery froastings : | 1.00000 | 5.00000 |
| egg products : | - | - |
| fats / oils : | 0.20000 | 1.00000 |
| fish products : | 0.20000 | 1.00000 |
| frozen dairy : | 0.40000 | 2.00000 |
| fruit ices : | 0.40000 | 2.00000 |
| gelatins / puddings : | 1.00000 | 5.00000 |
| granulated sugar : | - | - |
| gravies : | 1.00000 | 5.00000 |
| hard candy : | - | - |
| imitation dairy : | 0.40000 | 2.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | 1.00000 | 5.00000 |
| meat products : | 0.20000 | 1.00000 |
| milk products : | 0.40000 | 2.00000 |
| nut products : | - | - |
| other grains : | 0.20000 | 1.00000 |
| poultry : | 0.20000 | 1.00000 |
| processed fruits : | 0.40000 | 2.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.20000 | 1.00000 |
| snack foods : | 0.20000 | 1.00000 |
| soft candy : | - | - |
| soups : | 0.20000 | 1.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | 0.20000 | 1.00000 |
| safety links : | |
| chemidplus : | 26131-91-9 |
| epa-srs : | 26131-91-9 |
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| other : | |
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| references : | |
| jecfa number : | 1556 |
| fl. number : | 13.195 |
| pubchem : | 10390224 |
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