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| IUPAC name : | (E)-pent-2-enoic acid |
| InChI : | InChI=1/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+/f/h6H |
| InChIKey : | YIYBQIKDCADOSF-QYPRIRBSDI |
| SMILES : | CC\C=C\C(=O)O |
| (EINECS) number : | 237-791-9 |
| cas number : | 13991-37-2 |
| % from : | 90.00% to 98.00% |
| fema number : | 4193 |
| coe number : | 10163 |
| fl. number : | 08.107 |
| molar refractivity : | 26.83 ± 0.3 cm3 |
| parachor : | 240.0 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 34.1 ± 3.0 dyne/cm |
| density : | 1.008 ± 0.06 g/cm3 |
| polarizability : | 10.63 ± 0.5 10-24cm3 |
| xlogp : | 1.20 |
| molecular weight : | 100.1158200 |
| formula : | C5 H8 O2 |
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| IUPAC name : | (Z)-pent-2-enoic acid |
| InChI : | InChI=1/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-/f/h6H |
| InChIKey : | YIYBQIKDCADOSF-HMAZPXREDX |
| SMILES : | CC\C=C/C(=O)O |
| cas number : | 16666-42-5 |
| % from : | 2.00% to 10.00% |
| molar refractivity : | 26.83 ± 0.3 cm3 |
| parachor : | 240.0 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 34.1 ± 3.0 dyne/cm |
| density : | 1.008 ± 0.06 g/cm3 |
| polarizability : | 10.63 ± 0.5 10-24cm3 |
| xlogp : | 1.20 |
| molecular weight : | 100.1158200 |
| formula : | C5 H8 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | cheesy |
| odor strength : | medium ,
recommend smelling in a 1.00 % solution or less |
odor description¹ :
at 100.00 %. | acidic feta cheese buttery |
| taste description² : | at 25.00 ppm in water.
sour acetic buttery |
| substantivity : | 6 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99200 - 0.98700 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.264 to 8.222
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| refractive index : | 1.44900 - 1.45400 @ 20.00 °C.
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| melting point : | 9.00 - 11.00 °C. @ 760.00 mm Hg
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| boiling point : | 108.00 °C. @ 17.00 mm Hg
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| boiling point : | 200.00 - 203.00 °C. @ 760.00 mm Hg
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| logp : | 1.33 |
| 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. ) : | 215.00 °F. TCC ( 101.67 °C. )
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| recommendation for (E)-2-pentenoic acid usage levels up to : |
| | not for fragrance use.
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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 : 22. |
| 4193 | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 50.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 5.00000 | 25.00000 |
| cheese : | 3.00000 | 15.00000 |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | 10.00000 | 50.00000 |
| egg products : | - | - |
| fats / oils : | 2.00000 | 10.00000 |
| fish products : | 2.00000 | 10.00000 |
| frozen dairy : | 3.00000 | 15.00000 |
| fruit ices : | 3.00000 | 15.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 15.00000 | 75.00000 |
| hard candy : | 10.00000 | 50.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 2.00000 | 10.00000 |
| milk products : | 3.00000 | 15.00000 |
| nut products : | - | - |
| other grains : | 5.00000 | 25.00000 |
| poultry : | 2.00000 | 10.00000 |
| processed fruits : | 2.00000 | 10.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 25.00000 |
| snack foods : | - | - |
| soft candy : | 10.00000 | 50.00000 |
| soups : | 5.00000 | 25.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | 5.00000 | 25.00000 |
| safety links : | |
| (EINECS) number : | 237-791-9 |
| chemidplus : | 013991372 |
| epa-srs : | 13991-37-2 |
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| chemidplus : | 16666-42-5 |
| epa-srs : | 16666-42-5 |
| dtp/nci : | 26713 |
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| other : | |
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| references : | |
| pubchem : | 670616 |
| NIST Chemistry WebBook : | 502602928 |
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| pubchem : | 87517 |
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| reference : | Luebke, William tgsc, (2006)¹ |
| reference : | Luebke, William tgsc, (2006)² |