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| IUPAC name : | (E)-3-[(2R,3S)-3-pentyloxiran-2-yl]prop-2-enal |
| InChI : | InChI=1/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+/t9-,10+/m0/s1 |
| InChIKey : | HIOMEXREAUSUBP-IUUOVRRDBZ |
| SMILES : | CCCCC[C@H]1[C@H](O1)\C=C\C=O |
| cas number : | 134454-31-2 |
| fema number : | 4037 |
| jecfa number : | 1570 |
| molar refractivity : | 49.98 ± 0.3 cm3 |
| parachor : | 409.8 ± 4.0 cm3 |
| index of refraction : | 1.519 ± 0.02 |
| surface tension : | 38.4 ± 3.0 dyne/cm |
| density : | 1.022 ± 0.06 g/cm3 |
| polarizability : | 19.81 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 168.2328400 |
| formula : | C10 H16 O2 |
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| IUPAC name : | (E)-3-[(2S,3R)-3-pentyloxiran-2-yl]prop-2-enal |
| InChI : | InChI=1/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+/t9-,10+/m1/s1 |
| InChIKey : | HIOMEXREAUSUBP-NVETZNIKBO |
| SMILES : | CCCCC[C@H]1O[C@H]1/C=C/C=O |
| cas number : | 188590-62-7 |
| fema number : | 4037 |
| jecfa number : | 1570 |
| fl. number : | 16.071 |
| molar refractivity : | 49.98 ± 0.3 cm3 |
| parachor : | 409.8 ± 4.0 cm3 |
| index of refraction : | 1.519 ± 0.02 |
| surface tension : | 38.4 ± 3.0 dyne/cm |
| density : | 1.022 ± 0.06 g/cm3 |
| polarizability : | 19.81 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 168.2328400 |
| formula : | C10 H16 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | citrus |
odor description :
at 100.00 %. | citrus metallic green aldehydic |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 90.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94500 - 0.96500 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.873 to 8.039
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| refractive index : | 1.47100 - 1.48100 @ 20.00 °C.
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| boiling point : | 92.00 °C. @ 5.00 mm Hg
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| boiling point : | 80.00 - 83.00 °C. @ 0.65 mm Hg
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| acid value : | 10.00 max. KOH/g
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| logp : | 1.73 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | not determined
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| recommendation for epoxy-2-decenal usage levels up to : |
| | 1.0000 % 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 : 21. |
| 4037 | average usual ppm | average maximum ppm |
| baked goods : | 0.10000 | 1.00000 |
| beverages(nonalcoholic) : | 0.00100 | 0.10000 |
| beverages(alcoholic) : | 0.00100 | 0.10000 |
| breakfast cereal : | 0.00100 | 0.10000 |
| cheese : | 0.10000 | 1.00000 |
| chewing gum : | 0.00100 | 0.10000 |
| condiments / relishes : | 0.10000 | 1.00000 |
| confectionery froastings : | 0.00100 | 0.10000 |
| egg products : | 0.10000 | 1.00000 |
| fats / oils : | 0.10000 | 1.00000 |
| fish products : | 0.10000 | 1.00000 |
| frozen dairy : | 0.01000 | 0.50000 |
| fruit ices : | 0.01000 | 0.50000 |
| gelatins / puddings : | 0.01000 | 0.50000 |
| granulated sugar : | 0.00100 | 0.10000 |
| gravies : | 0.10000 | 1.00000 |
| hard candy : | 0.00100 | 0.10000 |
| imitation dairy : | 0.10000 | 1.00000 |
| instant coffee / tea : | 0.10000 | 1.00000 |
| jams / jellies : | 0.00100 | 0.10000 |
| meat products : | 0.10000 | 1.00000 |
| milk products : | 0.10000 | 1.00000 |
| nut products : | 0.01000 | 1.00000 |
| other grains : | 0.01000 | 1.00000 |
| poultry : | 0.10000 | 1.00000 |
| processed fruits : | 0.01000 | 1.00000 |
| processed vegetables : | 0.01000 | 1.00000 |
| reconstituted vegetables : | 0.01000 | 1.00000 |
| seasonings / flavors : | 2.00000 | 10.00000 |
| snack foods : | 0.10000 | 1.00000 |
| soft candy : | 0.00100 | 0.10000 |
| soups : | 0.10000 | 1.00000 |
| sugar substitutes : | 0.00100 | 0.10000 |
| sweet sauces : | 0.10000 | 1.00000 |
| safety links : | |
| chemidplus : | 134454-31-2 |
| epa-srs : | 134454-31-2 |
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| chemidplus : | 188590-62-7 |
| epa-srs : | 188590-62-7 |
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| other : | |
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| references : | |
| jecfa number : | 1570 |
| pubchem : | 11077183 |
| NIST Chemistry WebBook : | 3754992993 |
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| jecfa number : | 1570 |
| fl. number : | 16.071 |
| pubchem : | 10506935 |
| NIST Chemistry WebBook : | 206589527 |
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