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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | [(Z)-hex-3-enyl] (E)-but-2-enoate |
| InChI : | InChI=1/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4+ |
| InChIKey : | KITGYVIOYOCIIE-QNMAEOQABX |
| SMILES : | CC\C=C/CCOC(=O)\C=C\C |
| (EINECS) number : | 265-746-3 |
| cas number : | 65405-80-3 |
| fema number : | 3982 |
| coe number : | 9566 |
| jecfa number : | 1276 |
| fl. number : | 09.856 |
| molar refractivity : | 50.26 ± 0.3 cm3 |
| parachor : | 429.1 ± 4.0 cm3 |
| index of refraction : | 1.457 ± 0.02 |
| surface tension : | 29.3 ± 3.0 dyne/cm |
| density : | 0.912 ± 0.06 g/cm3 |
| polarizability : | 19.92 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 168.2328400 |
| formula : | C10 H16 O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Cargill - Alfrebro : | cis-3-HEXENYL CROTONATE |
| | natural, Kosher |
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| Fontarome Chemical : | C3-HEXENYL CROTONATE |
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| Sigma-Aldrich-SAFC : | cis-3-Hexenyl crotonate |
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organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description : at 100.00 %. | green vegetable |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89400 - 0.90400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.439 to 7.522
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| refractive index : | 1.42700 - 1.43700 @ 20.00 °C.
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| boiling point : | 107.00 °C. @ 25.00 mm Hg
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| boiling point : | 218.00 - 219.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.65 |
safety :
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| 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. ) : | 202.00 °F. TCC ( 94.44 °C. )
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| recommendation for (Z)-3-hexen-1-yl (E)-crotonate usage levels up to : |
| | 2.0000 % 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 : 20. |
| 3982 | average usual ppm | average maximum ppm |
| baked goods : | 2.00000 | 5.00000 |
| beverages(nonalcoholic) : | 2.00000 | 4.00000 |
| beverages(alcoholic) : | 0.50000 | 3.00000 |
| breakfast cereal : | 0.50000 | 5.00000 |
| cheese : | - | - |
| chewing gum : | 5.00000 | 100.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 20.00000 | 50.00000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 2.00000 | 5.00000 |
| fruit ices : | 1.00000 | 5.00000 |
| gelatins / puddings : | 2.00000 | 5.00000 |
| granulated sugar : | 0.20000 | 1.00000 |
| gravies : | 0.50000 | 3.00000 |
| hard candy : | 20.00000 | 50.00000 |
| imitation dairy : | 2.00000 | 5.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | 2.00000 | 10.00000 |
| meat products : | 0.50000 | 8.00000 |
| milk products : | 0.50000 | 2.00000 |
| nut products : | 0.50000 | 2.00000 |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | 0.50000 | 2.00000 |
| processed vegetables : | 0.50000 | 2.00000 |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.20000 | 1.00000 |
| snack foods : | - | - |
| soft candy : | 5.00000 | 10.00000 |
| soups : | 0.50000 | 2.00000 |
| sugar substitutes : | 0.50000 | 2.00000 |
| sweet sauces : | 0.50000 | 3.00000 |
safety links :
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| (EINECS) number : | 265-746-3 |
| chemidplus : | 65405-80-3 |
| epa-srs : | 65405-80-3 |
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other :
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references :
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| jecfa number : | 1276 |
| fl. number : | 09.856 |
| pubchem : | 40723210 |
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