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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one |
| InChI : | InChI=1/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3 |
| InChIKey : | ZTJZJYUGOJYHCU-UHFFFAOYAU |
| SMILES : | CC(=O)C=CC12C(CCCC1(O2)C)(C)C |
| (EINECS) number : | 245-542-0 |
| cas number : | 23267-57-4 |
| fema number : | 4144 |
| coe number : | 11202 |
| jecfa number : | 1571 |
| fl. number : | 07.170 |
| molar refractivity : | 61.56 ± 0.3 cm3 |
| parachor : | 499.7 ± 4.0 cm3 |
| index of refraction : | 1.548 ± 0.02 |
| surface tension : | 44.3 ± 3.0 dyne/cm |
| density : | 1.075 ± 0.06 g/cm3 |
| polarizability : | 24.40 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 208.2967000 |
| formula : | C13 H20 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity sweet berry woody violet orris powdery |
| substantivity : | 48 hour(s) at 100.00 % |
| properties : | |
| appearence : | white to pale yellow crystalline solid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 48.00 °C. @ 760.00 mm Hg
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| boiling point : | 275.00 - 276.00 °C. @ 760.00 mm Hg
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| logp : | 2.93 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 201.00 °F. TCC ( 93.89 °C. )
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| recommendation for beta-ionone epoxide usage levels up to : |
| | 2.0000 % 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. |
| 4144 | average usual ppm | average maximum ppm |
| baked goods : | 3.00000 | 15.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 2.00000 | 10.00000 |
| cheese : | 2.00000 | 10.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 5.00000 | 25.00000 |
| confectionery froastings : | - | - |
| egg products : | 2.00000 | 10.00000 |
| fats / oils : | 2.00000 | 10.00000 |
| fish products : | 3.00000 | 15.00000 |
| frozen dairy : | 5.00000 | 25.00000 |
| fruit ices : | 1.00000 | 5.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | 3.00000 | 15.00000 |
| poultry : | - | - |
| processed fruits : | 1.00000 | 5.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | 2.00000 | 10.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 245-542-0 |
| chemidplus : | 023267574 |
| epa-srs : | 23267-57-4 |
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| other : | |
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| references : | |
| jecfa number : | 1571 |
| fl. number : | 07.170 |
| pubchem : | 667640 |
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