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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 : | 98.00% to 100.00% |
| 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 : | (E)-hex-3-en-1-ol |
| InChI : | InChI=1/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+ |
| InChIKey : | UFLHIIWVXFIJGU-ONEGZZNKBX |
| SMILES : | CC\C=C\CCO |
| (EINECS) number : | 213-193-3 |
| cas number : | 928-97-2 |
| % from : | 92.00% to 98.00% |
| fema number : | 4356 |
| coe number : | 750 |
| jecfa number : | 1621 |
| fl. number : | 02.158 |
| 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 |
| BioActivity Analysis : | 48415330 |
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| IUPAC name : | (Z)-hex-3-en-1-ol |
| InChI : | InChI=1/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3- |
| InChIKey : | UFLHIIWVXFIJGU-ARJAWSKDBI |
| SMILES : | CC\C=C/CCO |
| (EINECS) number : | 213-192-8 |
| cas number : | 928-96-1 |
| % from : | 0.10% to 8.00% |
| beilstein number : | 1719712 |
| fema number : | 2563 |
| coe number : | 750 |
| jecfa number : | 315 |
| fl. number : | 02.056 |
| 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 |
| BioActivity Analysis : | 48415329 |
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| fda reg : | unspecified |
h. number : | 2905.29.9000 |
| organoleptics : | |
| odor type : | green |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | intensely green bitter earthy fatty |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83700 - 0.84700 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.965 to 7.048
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| refractive index : | 1.43500 - 1.44500 @ 20.00 °C.
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| boiling point : | 61.00 - 62.00 °C. @ 12.00 mm Hg
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| boiling point : | 155.00 - 156.00 °C. @ 760.00 mm Hg
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| logp : | 1.61 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 138.00 °F. TCC ( 58.89 °C. )
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| recommendation for (E)-3-hexen-1-ol usage levels up to : |
| | 1.0000 % 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. |
| 2563 | average usual ppm | average maximum ppm |
| baked goods : | 15.00000 | 30.00000 |
| beverages(nonalcoholic) : | 5.00000 | 15.00000 |
| beverages(alcoholic) : | 0.10000 | 15.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 200.00000 | 1000.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 10.00000 | 40.00000 |
| egg products : | - | - |
| fats / oils : | 5.00000 | 50.00000 |
| fish products : | - | - |
| frozen dairy : | 10.00000 | 20.00000 |
| fruit ices : | 0.50000 | 20.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 10.00000 | 50.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | 1.00000 | 5.00000 |
| jams / jellies : | 0.01000 | 2.00000 |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | 10.00000 | 50.00000 |
| soups : | 1.00000 | 20.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 208-860-0 |
| chemidplus : | 000544127 |
| epa-srs : | 544-12-7 |
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| (EINECS) number : | 213-193-3 |
| chemidplus : | 000928972 |
| epa-srs : | 928-97-2 |
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| (EINECS) number : | 213-192-8 |
| rtecs : | MP8400000 for 928-96-1 |
| chemidplus : | 000928961 |
| epa-srs : | 928-96-1 |
| dtp/nci : | 74451 |
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| other : | |
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| references : | |
| pubchem : | 154296 |
| NIST Chemistry WebBook : | 2578514958 |
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| pubchem : | 156917 |
| NIST Chemistry WebBook : | 3415283726 |
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| pubchem : | 156916 |
| NIST Chemistry WebBook : | 2399087035 |
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