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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | prop-2-enyl (2E,4E)-hexa-2,4-dienoate |
| InChI : | InChI=1/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3/b5-3+,7-6+ |
| InChIKey : | CVNZYQJBZIJLCL-TWTPFVCWBA |
| SMILES : | C\C=C\C=C\C(=O)OCC=C |
| cas number : | 30895-79-5 |
| fema number : | 2041 |
| coe number : | 2182 |
| jecfa number : | 8 |
| molar refractivity : | 45.36 ± 0.3 cm3 |
| parachor : | 378.3 ± 4.0 cm3 |
| index of refraction : | 1.468 ± 0.02 |
| surface tension : | 29.1 ± 3.0 dyne/cm |
| density : | 0.934 ± 0.06 g/cm3 |
| polarizability : | 17.98 ± 0.5 10-24cm3 |
| xlogp : | 2.40 |
| molecular weight : | 152.1903800 |
| formula : | C9 H12 O2 |
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| fda reg : | unspecified |
h. number : | 2916.19.4000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity pineapple |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94500 - 0.94700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.863 to 7.880
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| refractive index : | 1.50500 - 1.50700 @ 20.00 °C.
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| boiling point : | 207.00 - 208.00 °C. @ 760.00 mm Hg
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| logp : | 2.61 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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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. ) : | 198.00 °F. TCC ( 92.22 °C. )
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl sorbate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for allyl sorbate usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| chemidplus : | 007493756 |
| epa-srs : | 30895-79-5 |
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| other : | |
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| references : | |
| pubchem : | 197668 |
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