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| IUPAC name : | 1-(4,5-dihydro-3H-pyrrol-2-yl)ethanone |
| InChI : | InChI=1/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3 |
| InChIKey : | DQBQWWSFRPLIAX-UHFFFAOYAG |
| SMILES : | CC(=O)C1=NCCC1 |
| cas number : | 99583-29-6 |
| fema number : | 4249 |
| jecfa number : | 1604 |
| fl. number : | 14.080 |
| molar refractivity : | 31.36 ± 0.5 cm3 |
| parachor : | 249.1 ± 8.0 cm3 |
| index of refraction : | 1.531 ± 0.05 |
| surface tension : | 36.4 ± 7.0 dyne/cm |
| density : | 1.09 ± 0.1 g/cm3 |
| polarizability : | 12.43 ± 0.5 10-24cm3 |
| xlogp : | -0.10 |
| molecular weight : | 111.1417600 |
| formula : | C6 H9 N O |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in propylene glycol. | fishy |
properties :
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| appearence : | colorless to yellow solid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 19.00 °C. @ 760.00 mm Hg
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| boiling point : | 182.00 - 183.00 °C. @ 760.00 mm Hg
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| logp : | -1.27 |
safety :
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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. ) : | 151.00 °F. TCC ( 66.11 °C. )
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| recommendation for 2-acetyl-1-pyrroline 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). |
| 4249 | average usual ppm | average maximum ppm |
| baked goods : | 2.00000 | 10.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 0.20000 | 1.00000 |
| cheese : | 0.40000 | 2.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 0.10000 | 0.50000 |
| confectionery froastings : | 1.00000 | 5.00000 |
| egg products : | - | - |
| fats / oils : | 0.10000 | 0.50000 |
| fish products : | 0.20000 | 1.00000 |
| frozen dairy : | 0.40000 | 2.00000 |
| fruit ices : | 0.40000 | 2.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 0.20000 | 1.00000 |
| milk products : | 0.40000 | 2.00000 |
| nut products : | - | - |
| other grains : | 0.20000 | 1.00000 |
| poultry : | 0.20000 | 1.00000 |
| processed fruits : | 0.40000 | 2.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.10000 | 0.50000 |
| snack foods : | 1.00000 | 5.00000 |
| soft candy : | - | - |
| soups : | 0.10000 | 0.50000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety links :
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| chemidplus : | 99583-29-6 |
| epa-srs : | 99583-29-6 |
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| EPI System : | Click here |
other :
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references :
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| jecfa number : | 1604 |
| fl. number : | 14.080 |
| pubchem : | 10536967 |
| NIST Chemistry WebBook : | 10848514 |
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