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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 |
| (EINECS) number : | 210-828-6 |
| cas number : | 624-09-9 |
| fema number : | 4341 |
| 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 |
| formula : | C14 H28 O2 |
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| fda reg : | unspecified |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | green |
| odor strength : | medium |
odor description :
at 100.00 %. | grassy |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86500 - 0.87000 @ 19.00 °C.
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| pounds per gallon - calc. : | 7.198 to 7.239
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| refractive index : | 1.43200 @ 25.00 °C.
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| boiling point : | 273.00 - 274.00 °C. @ 760.00 mm Hg
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| logp : | 5.78 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 248.00 °F. TCC ( 120.00 °C. )
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| recommendation for heptyl heptanoate 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). |
| publication number : 23. |
| 4341 | 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 links : | |
| (EINECS) number : | 210-828-6 |
| chemidplus : | 000624099 |
| epa-srs : | 624-09-9 |
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| other : | |
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| references : | |
| pubchem : | 211521 |
| NIST Chemistry WebBook : | 3644550119 |
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