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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | [(E)-hept-2-enyl] acetate |
| InChI : | InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+ |
| InChIKey : | AWCPMVVOGVEPRC-VOTSOKGWBQ |
| SMILES : | CCCC\C=C\COC(=O)C |
| (EINECS) number : | 241-002-3 |
| cas number : | 16939-73-4 |
| fema number : | 4125 |
| coe number : | 10661 |
| fl. number : | 09.385 |
| molar refractivity : | 45.57 ± 0.3 cm3 |
| parachor : | 402.1 ± 4.0 cm3 |
| index of refraction : | 1.436 ± 0.02 |
| surface tension : | 28.4 ± 3.0 dyne/cm |
| density : | 0.896 ± 0.06 g/cm3 |
| polarizability : | 18.06 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 156.2221400 |
| formula : | C9 H16 O2 |
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| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | sweet fruity fatty |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88500 - 0.89100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.364 to 7.414
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| refractive index : | 1.42700 - 1.43300 @ 20.00 °C.
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| boiling point : | 195.00 °C. @ 760.00 mm Hg
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| logp : | 3.11 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 165.00 °F. TCC ( 73.89 °C. )
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| recommendation for (E)-2-hepten-1-yl acetate usage levels up to : |
| | 5.0000 % 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 : 22. |
| 4125 | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 50.00000 |
| beverages(nonalcoholic) : | 5.00000 | 25.00000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 5.00000 | 25.00000 |
| cheese : | 7.00000 | 35.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 5.00000 | 25.00000 |
| confectionery froastings : | 10.00000 | 50.00000 |
| egg products : | - | - |
| fats / oils : | 5.00000 | 25.00000 |
| fish products : | 2.00000 | 10.00000 |
| frozen dairy : | 7.00000 | 35.00000 |
| fruit ices : | 10.00000 | 50.00000 |
| gelatins / puddings : | 5.00000 | 25.00000 |
| granulated sugar : | - | - |
| gravies : | 20.00000 | 100.00000 |
| hard candy : | - | - |
| imitation dairy : | 7.00000 | 35.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | 5.00000 | 25.00000 |
| meat products : | 2.00000 | 10.00000 |
| milk products : | 7.00000 | 35.00000 |
| nut products : | - | - |
| other grains : | 5.00000 | 25.00000 |
| poultry : | 2.00000 | 10.00000 |
| processed fruits : | 7.00000 | 35.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 25.00000 |
| snack foods : | 10.00000 | 50.00000 |
| soft candy : | - | - |
| soups : | 5.00000 | 25.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | 5.00000 | 25.00000 |
| safety links : | |
| (EINECS) number : | 241-002-3 |
| chemidplus : | 016939734 |
| epa-srs : | 16939-73-4 |
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| other : | |
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| references : | |
| pubchem : | 662512 |
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