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| IUPAC name : | 1,1-diethoxyhex-2-ene |
| InChI : | InChI=1/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3 |
| InChIKey : | WMQKYHTZGYIHHD-UHFFFAOYAJ |
| SMILES : | CCCC=CC(OCC)OCC |
| (EINECS) number : | 259-086-5 |
| cas number : | 54306-00-2 |
| coe number : | 2135 |
| fl. number : | 06.031 |
| molar refractivity : | 51.88 ± 0.3 cm3 |
| parachor : | 453.9 ± 4.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 26.3 ± 3.0 dyne/cm |
| density : | 0.859 ± 0.06 g/cm3 |
| polarizability : | 20.56 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
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| IUPAC name : | (E)-1,1-diethoxyhex-2-ene |
| InChI : | InChI=1/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+ |
| InChIKey : | WMQKYHTZGYIHHD-CMDGGOBGBO |
| SMILES : | CCC\C=C\C(OCC)OCC |
| (EINECS) number : | 266-989-8 |
| cas number : | 67746-30-9 |
| fema number : | 4047 |
| coe number : | 6031 |
| jecfa number : | 1383 |
| molar refractivity : | 51.88 ± 0.3 cm3 |
| parachor : | 453.9 ± 4.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 26.3 ± 3.0 dyne/cm |
| density : | 0.859 ± 0.06 g/cm3 |
| polarizability : | 20.56 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
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| fda reg : | unspecified |
h. number : | 2911.00.5000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | mild green fruity green apple |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84300 - 0.84900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.015 to 7.065
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| refractive index : | 1.41800 - 1.42600 @ 20.00 °C.
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| boiling point : | 76.00 °C. @ 15.00 mm Hg
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| logp : | 3.30 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 860.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 5000.00 mg/kg
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| flash point ( Deg. F. ) : | 150.00 °F. TCC ( 65.56 °C. )
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| IFRA critical Effect : | Sensitization |
| recommendation for (E)-2-hexen-1-al diethyl acetal usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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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. |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | 1.00000 | 15.00000 |
| 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 : | - | - |
| 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 : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 259-086-5 |
| chemidplus : | 054306002 |
| epa-srs : | 54306-00-2 |
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| (EINECS) number : | 266-989-8 |
| chemidplus : | 067746309 |
| epa-srs : | 67746-30-9 |
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| ifra : | ifra - ( Found under : trans-2-Hexenal diethyl acetal ) |
| other : | |
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| references : | |
| fl. number : | 06.031 |
| pubchem : | 685594 |
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| jecfa number : | 1383 |
| pubchem : | 670359 |
| NIST Chemistry WebBook : | 3101778948 |
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