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| IUPAC name : | 1-(4,5-dihydro-1H-pyrrol-2-yl)ethanone |
| InChI : | InChI=1/C6H9NO/c1-5(8)6-3-2-4-7-6/h3,7H,2,4H2,1H3 |
| InChIKey : | ZEKCQHIPQALHSP-UHFFFAOYAZ |
| SMILES : | CC(=O)C1=CCCN1 |
| cas number : | 85213-22-5 |
| coe number : | 1408 |
| molar refractivity : | 30.60 ± 0.3 cm3 |
| parachor : | 257.9 ± 6.0 cm3 |
| index of refraction : | 1.482 ± 0.02 |
| surface tension : | 33.4 ± 3.0 dyne/cm |
| density : | 1.035 ± 0.06 g/cm3 |
| polarizability : | 12.13 ± 0.5 10-24cm3 |
| XlogP : | 0.30 |
| XlogP3-AA : | 0.70 |
| molecular weight : | 111.1417600 (IUPAC) |
| formula : | C6 H9 N O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| CHEMSTEP : | Ethanone, 1-(3,4-dihydro-2H-pyrrol-5-yl)- (9CI)
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| Nanjing : | 1-(3,4-dihydro-2H-pyrrol-5-yl)-ethanone
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organoleptics :
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| odor type : | roasted |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in propylene glycol. | nutty roasted ham sweet |
properties :
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| Food Chemicals Codex Listed : | No |
| boiling point : | 252.00 to 253.00 °C. @ 760.00 mm Hg
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| flash point : | 261.00 °F. TCC ( 127.22 °C. )
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| logP (o/w) : | -0.69 |
safety :
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for acetyl 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). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link. |
| publication number : 22 |
| | 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 references :
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| EPI System : | view |
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| | 1-(4,5-dihydro-1H-pyrrol-2-yl)ethanone
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| chemidplus : | 85213-22-5 |
| EPA Substance Registry Services : | 85213-22-5 |
references :
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| | 1-(4,5-dihydro-1H-pyrrol-2-yl)ethanone
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| NIST Chemistry WebBook : | 2300169892 |
| pubchem : | 10545042 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |