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| IUPAC name : | 2-methyl-1,3-benzoxazole |
| InChI : | InChI=1/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3 |
| InChIKey : | DQSHFKPKFISSNM-UHFFFAOYAH |
| SMILES : | CC1=NC2=CC=CC=C2O1 |
| (EINECS) number : | 202-399-9 |
| cas number : | 95-21-6 |
| beilstein number : | 0112297 |
| fema number : | 4398 |
| jecfa number : | 1557 |
| fl. number : | 13.154 |
| molar refractivity : | 39.31 ± 0.3 cm3 |
| parachor : | 296.8 ± 4.0 cm3 |
| index of refraction : | 1.594 ± 0.02 |
| surface tension : | 43.1 ± 3.0 dyne/cm |
| density : | 1.149 ± 0.06 g/cm3 |
| polarizability : | 15.58 ± 0.5 10-24cm3 |
| xlogp : | 1.40 |
| molecular weight : | 133.1472800 |
| formula : | C8 H7 N O |
| BioActivity Analysis : | 70255 |
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| fda reg : | unspecified |
h. number : | 2934.90 |
| organoleptics : | |
| odor type : | tobacco |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | tobacco sweet floral burnt |
| properties : | |
| appearence : | pale yellow to yellow clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.10900 - 1.11500 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.228 to 9.278
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| refractive index : | 1.54400 - 1.55000 @ 20.00 °C.
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| melting point : | 9.00 - 10.00 °C. @ 760.00 mm Hg
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| boiling point : | 199.00 - 200.00 °C. @ 760.00 mm Hg
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| logp : | 2.60 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Mouse 1100.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 167.00 °F. TCC ( 75.00 °C. )
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| recommendation for methyl benzoxole usage levels up to : |
| | 0.4000 % 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. |
| 4398 | average usual ppm | average maximum ppm |
| baked goods : | 0.40000 | 2.00000 |
| 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 : | 0.40000 | 2.00000 |
| egg products : | - | - |
| fats / oils : | 0.20000 | 1.00000 |
| fish products : | 0.10000 | 0.40000 |
| 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 : | 0.10000 | 0.40000 |
| milk products : | 0.40000 | 2.00000 |
| nut products : | - | - |
| other grains : | 0.20000 | 1.00000 |
| poultry : | 0.10000 | 0.40000 |
| processed fruits : | 0.30000 | 1.50000 |
| 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 : | |
| (EINECS) number : | 202-399-9 |
| chemidplus : | 000095216 |
| epa-srs : | 95-21-6 |
| dtp/nci : | 3824 |
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| other : | |
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| references : | |
| pubchem : | 150273 |
| NIST Chemistry WebBook : | 1948567909 |
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