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| IUPAC name : | ethyl hexa-2,4-dienoate |
| InChI : | InChI=1/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3 |
| InChIKey : | OZZYKXXGCOLLLO-UHFFFAOYAU |
| SMILES : | CCOC(=O)C=CC=CC |
| (EINECS) number : | 219-258-2 |
| cas number : | 2396-84-1 |
| fema number : | 2459 |
| coe number : | 635 |
| jecfa number : | 1178 |
| fl. number : | 09.194 |
| molar refractivity : | 41.00 ± 0.3 cm3 |
| parachor : | 349.5 ± 4.0 cm3 |
| index of refraction : | 1.454 ± 0.02 |
| surface tension : | 28.4 ± 3.0 dyne/cm |
| density : | 0.926 ± 0.06 g/cm3 |
| polarizability : | 16.25 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 140.1796800 |
| formula : | C8 H12 O2 |
| BioActivity Analysis : | 74488 |
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| IUPAC name : | ethyl (2E,4E)-hexa-2,4-dienoate |
| InChI : | InChI=1/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+ |
| InChIKey : | OZZYKXXGCOLLLO-TWTPFVCWBY |
| SMILES : | CCOC(=O)\C=C\C=C\C |
| cas number : | 5941-48-0 |
| fema number : | 2459 |
| molar refractivity : | 41.00 ± 0.3 cm3 |
| parachor : | 349.5 ± 4.0 cm3 |
| index of refraction : | 1.454 ± 0.02 |
| surface tension : | 28.4 ± 3.0 dyne/cm |
| density : | 0.926 ± 0.06 g/cm3 |
| polarizability : | 16.25 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 140.1796800 |
| formula : | C8 H12 O2 |
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| fda reg : | 172.515 |
h. number : | 2916.19.4000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | warm fruity anise licorice ether |
| taste description³ : | at 30.00 ppm.
Fruity, sweet, green, pineapple, tutti frutti-like with juicy tropical nuances |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93100 - 0.94300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.747 to 7.847
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| refractive index : | 1.48600 - 1.49800 @ 20.00 °C.
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| boiling point : | 82.00 - 83.00 °C. @ 13.00 mm Hg
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| boiling point : | 195.50 °C. @ 760.00 mm Hg
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| logp : | 2.40 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Mouse >8.00 gm/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 157.00 °F. TCC ( 69.44 °C. )
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| recommendation for ethyl sorbate usage levels up to : |
| | 12.0000 % in the fragrance concentrate.
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| recommendation for ethyl sorbate usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 219-258-2 |
| rtecs : | WG2143000 for 2396-84-1 |
| chemidplus : | 2396-84-1 |
| epa-srs : | 2396-84-1 |
| dtp/nci : | 8874 |
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| chemidplus : | 002396841 |
| epa-srs : | 5941-48-0 |
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| other : | |
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| references : | |
| pubchem : | 74488 |
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| pubchem : | 160179 |
| NIST Chemistry WebBook : | 1462985404 |
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| reference : | Mosciano, Gerard P&F 17, No. 5, 127, (1992)³ |