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| IUPAC name : | heptyl heptanoate |
| InChI : | InChI=1/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3 |
| InChIKey : | QOIIBPAJVWFEPE-UHFFFAOYAN |
| SMILES : | CCCCCCCOC(=O)CCCCCC |
| cas number : | 624-09-9 |
| (EINECS) number : | 210-828-6 |
| fema number : | 4341 |
| jecfa number : | 1875 |
| molar refractivity : | 68.68 ± 0.3 cm3 |
| parachor : | 613.8 ± 4.0 cm3 |
| index of refraction : | 1.435 ± 0.02 |
| surface tension : | 29.6 ± 3.0 dyne/cm |
| density : | 0.867 ± 0.06 g/cm3 |
| polarizability : | 27.22 ± 0.5 10-24cm3 |
| XlogP : | 5.80 |
| molecular weight : | 228.3709200 (IUPAC) |
| formula : | C14 H28 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.90.0000 |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | Heptyl heptanoate
orders in chinese. |
organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description: at 100.00 %. | grassy green |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85900 to 0.86500 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.156 to 7.206
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| refractive index : | 1.42800 to 1.43200 @ 20.00 °C.
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| boiling point : | 276.00 to 277.00 °C. @ 760.00 mm Hg
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| flash point : | 248.00 °F. TCC ( 120.00 °C. )
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| logP (o/w) : | 5.78 |
safety :
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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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| Category : | flavor and fragrance agents |
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| recommendation for heptyl heptanoate fragrance usage levels up to : |
| | 8.0000 % 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). |
| 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 : 23 |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | 3.00000 | 15.00000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 25.00000 | 100.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | 10.00000 | 20.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 5.00000 | 25.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | 5.00000 | 20.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
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| | heptyl heptanoate |
| (EINECS) number : | 210-828-6 |
| chemidplus : | 000624099 |
| EPA Substance Registry Services : | 624-09-9 |
references :
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| | heptyl heptanoate |
| jecfa number : | 1875 |
| NIST Chemistry WebBook : | 3644550119 |
| pubchem : | 211521 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |