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| IUPAC name : | (E)-hex-4-enal |
| InChI : | InChI=1/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2+ |
| InChIKey : | DPCMFIRORYQTCL-NSCUHMNNBX |
| SMILES : | CC=CCCC=O |
| cas number : | 25166-87-4 |
| % from : | 76.00% |
| fema number : | 4046 |
| jecfa number : | 1622 |
| molar refractivity : | 30.09 ± 0.3 cm3 |
| parachor : | 266.9 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 25.7 ± 3.0 dyne/cm |
| density : | 0.828 ± 0.06 g/cm3 |
| polarizability : | 11.92 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 98.1430000 |
| formula : | C6 H10 O |
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| IUPAC name : | (Z)-hex-4-enal |
| InChI : | InChI=1/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2- |
| InChIKey : | DPCMFIRORYQTCL-IHWYPQMZBU |
| SMILES : | C\C=C\CCC=O |
| (EINECS) number : | 225-058-6 |
| cas number : | 4634-89-3 |
| % from : | 16.00% to 20.00% |
| fema number : | 3496 |
| coe number : | 10337 |
| jecfa number : | 319 |
| fl. number : | 05.113 |
| molar refractivity : | 30.09 ± 0.3 cm3 |
| parachor : | 266.9 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 25.7 ± 3.0 dyne/cm |
| density : | 0.828 ± 0.06 g/cm3 |
| polarizability : | 11.92 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 98.1430000 |
| formula : | C6 H10 O |
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| IUPAC name : | hex-3-en-1-ol |
| InChI : | InChI=1/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3 |
| InChIKey : | UFLHIIWVXFIJGU-UHFFFAOYAQ |
| SMILES : | CCC=CCCO |
| (EINECS) number : | 208-860-0 |
| cas number : | 544-12-7 |
| % from : | 2.00% to 4.00% |
| fema number : | 2563 |
| coe number : | 750 |
| fl. number : | 02.159 |
| molar refractivity : | 31.43 ± 0.3 cm3 |
| parachor : | 274.8 ± 4.0 cm3 |
| index of refraction : | 1.442 ± 0.02 |
| surface tension : | 28.7 ± 3.0 dyne/cm |
| density : | 0.843 ± 0.06 g/cm3 |
| polarizability : | 12.46 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 100.1588800 |
| formula : | C6 H12 O |
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| IUPAC name : | hexanal |
| InChI : | InChI=1/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 |
| InChIKey : | JARKCYVAAOWBJS-UHFFFAOYAA |
| SMILES : | CCCCCC=O |
| (EINECS) number : | 200-624-5 |
| cas number : | 66-25-1 |
| % from : | 1.00% to 2.00% |
| beilstein number : | 0506198 |
| fema number : | 2557 |
| coe number : | 96 |
| jecfa number : | 92 |
| fl. number : | 05.008 |
| molar refractivity : | 30.03 ± 0.3 cm3 |
| parachor : | 279.7 ± 4.0 cm3 |
| index of refraction : | 1.396 ± 0.02 |
| surface tension : | 25.1 ± 3.0 dyne/cm |
| density : | 0.801 ± 0.06 g/cm3 |
| polarizability : | 11.90 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 100.1588800 |
| formula : | C6 H12 O |
| BioActivity Analysis : | 48414796 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | green vegetable |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 92.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.82400 - 0.83200 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.857 to 6.923
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| refractive index : | 1.41700 - 1.42400 @ 20.00 °C.
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| boiling point : | 125.00 - 129.00 °C. @ 760.00 mm Hg
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| logp : | 1.64 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 0.024 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 64.00 °F. TCC ( 17.78 °C. )
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| recommendation for (E)-4-hexen-1-al usage levels up to : |
| | 0.8000 % 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 : 21. |
| 4046 | average usual ppm | average maximum ppm |
| baked goods : | 0.00800 | 0.10000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 0.00800 | 0.10000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | 0.01000 | 0.20000 |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | 0.01000 | 0.10000 |
| processed fruits : | - | - |
| processed vegetables : | 0.00800 | 0.10000 |
| reconstituted vegetables : | 0.00800 | 0.10000 |
| seasonings / flavors : | - | - |
| snack foods : | 0.01000 | 0.20000 |
| soft candy : | - | - |
| soups : | 0.00800 | 0.05000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| chemidplus : | 25166-87-4 |
| epa-srs : | 25166-87-4 |
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| (EINECS) number : | 225-058-6 |
| chemidplus : | 004634893 |
| epa-srs : | 4634-89-3 |
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| (EINECS) number : | 208-860-0 |
| chemidplus : | 000544127 |
| epa-srs : | 544-12-7 |
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| (EINECS) number : | 200-624-5 |
| rtecs : | MN7175000 for 66-25-1 |
| chemidplus : | 000066251 |
| epa-srs : | 66-25-1 |
| dtp/nci : | 2596 |
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| other : | |
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| references : | |
| jecfa number : | 1622 |
| pubchem : | 25166-87-4 |
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| jecfa number : | 319 |
| fl. number : | 05.113 |
| pubchem : | 204002 |
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| fl. number : | 02.159 |
| pubchem : | 154296 |
| NIST Chemistry WebBook : | 2578514958 |
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| jecfa number : | 92 |
| fl. number : | 05.008 |
| pubchem : | 149090 |
| NIST Chemistry WebBook : | 2732101702 |
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