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| IUPAC name : | hexyl heptanoate |
| InChI : | InChI=1/C13H26O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h3-12H2,1-2H3 |
| InChIKey : | IFOGOHVJHKKYCT-UHFFFAOYAZ |
| SMILES : | CCCCCCC(=O)OCCCCCC |
| cas number : | 1119-06-8 |
| fema number : | 4337 |
| jecfa number : | 1872 |
| molar refractivity : | 64.05 ± 0.3 cm3 |
| parachor : | 574.0 ± 4.0 cm3 |
| index of refraction : | 1.432 ± 0.02 |
| surface tension : | 29.3 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 25.39 ± 0.5 10-24cm3 |
| XlogP : | 5.30 |
| molecular weight : | 214.3443400 |
| formula : | C13 H26 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | Hexyl heptanoate
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organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description : at 100.00 %. | dank foliage mallow leaves green |
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 : | 0.86000 to 0.86500 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.164 to 7.206
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| refractive index : | 1.42600 to 1.43000 @ 20.00 °C.
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| boiling point : | 252.00 to 253.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | 229.00 °F. TCC ( 109.44 °C. )
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| logP (o/w) : | 5.49 |
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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| recommendation for hexyl heptanoate usage levels up to : |
| | 6.0000 % 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) : | 0.20000 | 1.00000 |
| beverages(alcoholic) : | 0.40000 | 2.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | 0.50000 | 2.50000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 1.00000 | 5.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | 0.50000 | 2.50000 |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
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| | hexyl heptanoate
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| chemidplus : | 1119-06-8 |
| EPA Substance Registry Services : | 1119-06-8 |
references :
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| | hexyl heptanoate
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| jecfa number : | 1872 |
| NIST Chemistry WebBook : | 2598284130 |
| pubchem : | 10504091 |
other :
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