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| IUPAC name : | pent-2-enal |
| InChI : | InChI=1/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3 |
| InChIKey : | DTCCTIQRPGSLPT-UHFFFAOYAF |
| SMILES : | CCC=CC=O |
| (EINECS) number : | 212-120-2 |
| cas number : | 764-39-6 |
| fema number : | 3218 |
| coe number : | 10375 |
| jecfa number : | 1364 |
| fl. number : | 05.102 |
| molar refractivity : | 25.45 ± 0.3 cm3 |
| parachor : | 227.1 ± 4.0 cm3 |
| index of refraction : | 1.413 ± 0.02 |
| surface tension : | 24.6 ± 3.0 dyne/cm |
| density : | 0.824 ± 0.06 g/cm3 |
| polarizability : | 10.09 ± 0.5 10-24cm3 |
| xlogp : | 1.30 |
| molecular weight : | 84.1164200 |
| formula : | C5 H8 O |
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| IUPAC name : | (E)-pent-2-enal |
| InChI : | InChI=1/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+ |
| InChIKey : | DTCCTIQRPGSLPT-ONEGZZNKBM |
| SMILES : | CC\C=C\C=O |
| (EINECS) number : | 216-414-1 |
| cas number : | 1576-87-0 |
| beilstein number : | 1719742 |
| fema number : | 3218 |
| molar refractivity : | 25.45 ± 0.3 cm3 |
| parachor : | 227.1 ± 4.0 cm3 |
| index of refraction : | 1.413 ± 0.02 |
| surface tension : | 24.6 ± 3.0 dyne/cm |
| density : | 0.824 ± 0.06 g/cm3 |
| polarizability : | 10.09 ± 0.5 10-24cm3 |
| xlogp : | 1.30 |
| molecular weight : | 84.1164200 |
| formula : | C5 H8 O |
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| fda reg : | unspecified |
h. number : | 2912.10 |
| organoleptics : | |
| odor type : | green |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | pungent green fruity apple orange tomato |
| taste description³ : | at 20.00 ppm.
Green, waxy and fruity |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85000 - 0.86500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.073 to 7.198
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| refractive index : | 1.43900 - 1.45100 @ 20.00 °C.
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| melting point : | 16.00 °C. @ 760.00 mm Hg
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| boiling point : | 80.00 - 81.00 °C. @ 160.00 mm Hg
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| boiling point : | 56.00 °C. @ 65.00 mm Hg
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| logp : | 1.04 |
| 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. ) : | 73.00 °F. TCC ( 22.78 °C. )
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| recommendation for (E)-2-penten-1-al usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for (E)-2-penten-1-al usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 212-120-2 |
| rtecs : | SB1560000 for 764-39-6 |
| chemidplus : | 000764396 |
| epa-srs : | 764-39-6 |
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| (EINECS) number : | 216-414-1 |
| chemidplus : | 001576870 |
| epa-srs : | 1576-87-0 |
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| other : | |
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| references : | |
| pubchem : | 156345 |
| NIST Chemistry WebBook : | 1222489369 |
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| pubchem : | 670595 |
| NIST Chemistry WebBook : | 2958817563 |
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| reference : | Mosciano, Gerard P&F 16, No. 2, 49, (1991)³ |