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| IUPAC name : | hexa-2,4-dienyl propanoate |
| InChI : | InChI=1/C9H14O2/c1-3-5-6-7-8-11-9(10)4-2/h3,5-7H,4,8H2,1-2H3 |
| InChIKey : | ZVBREIRNEOXCKQ-UHFFFAOYAO |
| SMILES : | CCC(=O)OCC=CC=CC |
| cas number : | 16491-25-1 |
| (EINECS) number : | 240-552-1 |
| fema number : | 4131 |
| jecfa number : | 1781 |
| molar refractivity : | 45.63 ± 0.3 cm3 |
| parachor : | 389.3 ± 4.0 cm3 |
| index of refraction : | 1.456 ± 0.02 |
| surface tension : | 28.9 ± 3.0 dyne/cm |
| density : | 0.918 ± 0.06 g/cm3 |
| polarizability : | 18.09 ± 0.5 10-24cm3 |
| XlogP : | 2.30 |
| molecular weight : | 154.2062600 |
| formula : | C9 H14 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.50.3000 |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | 2,4-hexadienyl propionate
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | sweet fruity pineapple wine |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91500 to 0.92500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.614 to 7.697
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| refractive index : | 1.43600 to 1.47600 @ 20.00 °C.
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| boiling point : | 75.00 °C. @ 15.00 mm Hg
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| flash point : | 175.00 °F. TCC ( 79.44 °C. )
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| logP (o/w) : | 2.44 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for sorbyl propionate 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). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link. |
| publication number : 22 |
| | average usual ppm | average maximum ppm |
| baked goods : | 0.50000 | 10.00000 |
| beverages(nonalcoholic) : | 2.00000 | 20.00000 |
| beverages(alcoholic) : | 2.00000 | 20.00000 |
| breakfast cereal : | 0.50000 | 10.00000 |
| cheese : | - | - |
| chewing gum : | 1.00000 | 20.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 5.00000 | 25.00000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 1.00000 | 20.00000 |
| fruit ices : | 1.00000 | 20.00000 |
| gelatins / puddings : | 5.00000 | 25.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 1.00000 | 10.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | 5.00000 | 25.00000 |
| meat products : | - | - |
| milk products : | 5.00000 | 25.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | 5.00000 | 25.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 25.00000 |
| snack foods : | 1.00000 | 10.00000 |
| soft candy : | 1.00000 | 10.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | 1.00000 | 25.00000 |
safety references :
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| EPI System : | view |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 1 |
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| | hexa-2,4-dienyl propanoate
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| (EINECS) number : | 240-552-1 |
| chemidplus : | 016491251 |
| EPA Substance Registry Services : | 16491-25-1 |
references :
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| | hexa-2,4-dienyl propanoate
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| jecfa number : | 1781 |
| pubchem : | 662880 |
other :
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