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| IUPAC name : | 1-(4,5-dihydro-3H-pyrrol-2-yl)propan-1-one |
| InChI : | InChI=1/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3 |
| InChIKey : | OVNCGQSYSSYBPO-UHFFFAOYAP |
| SMILES : | CCC(=O)C1=NCCC1 |
| cas number : | 133447-37-7 |
| fema number : | 4063 |
| jecfa number : | 1605 |
| fl. number : | 14.168 |
| molar refractivity : | 35.97± 0.5 cm3 |
| parachor : | 287.7 ± 8.0 cm3 |
| index of refraction : | 1.524 ± 0.05 |
| surface tension : | 35.8 ± 7.0 dyne/cm |
| density : | 1.06 ± 0.1 g/cm3 |
| polarizability : | 14.26 ± 0.5 10-24cm3 |
| xlogp : | 0.20 |
| molecular weight : | 125.1683400 |
| formula : | C7 H11 N O |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | fishy |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in propylene glycol. | fishy roasted |
properties :
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| appearence : | pale yellow to yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97900 to 0.98500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.146 to 8.196
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| refractive index : | 1.44600 to 1.45200 @ 20.00 °C.
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| boiling point : | 89.00 to 90.00 °C. @ 1.00 mm Hg
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| logp : | -0.74 |
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. ) : | 168.00 °F. TCC ( 75.56 °C. )
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| recommendation for propionyl pyrroline 1% in vegatable oil triglyceride 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 : 21. |
| 4063 | average usual ppm | average maximum ppm |
| baked goods : | 60.00000 | 300.00000 |
| beverages(nonalcoholic) : | 1.20000 | 12.00000 |
| beverages(alcoholic) : | 6.00000 | 50.00000 |
| breakfast cereal : | 10.00000 | 100.00000 |
| cheese : | - | - |
| chewing gum : | 60.00000 | 300.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 6.00000 | 30.00000 |
| egg products : | 6.00000 | 30.00000 |
| fats / oils : | 8.00000 | 40.00000 |
| fish products : | - | - |
| frozen dairy : | 20.00000 | 100.00000 |
| fruit ices : | - | - |
| gelatins / puddings : | 10.00000 | 50.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 10.00000 | 50.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | 10.00000 | 50.00000 |
| jams / jellies : | 10.00000 | 50.00000 |
| meat products : | 10.00000 | 50.00000 |
| milk products : | 10.00000 | 50.00000 |
| nut products : | - | - |
| other grains : | 10.00000 | 50.00000 |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | 10.00000 | 50.00000 |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 10.00000 | 50.00000 |
| snack foods : | 50.00000 | 250.00000 |
| soft candy : | 10.00000 | 50.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | 6.00000 | 30.00000 |
safety links :
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| chemidplus : | 133447-37-7 |
| EPA Substance Registry Services : | 133447-37-7 |
| NLM Chemical Carcinogenesis Research Information System : | 133447-37-7 |
| NLM Developmental and Reproductive Toxicity : | 133447-37-7 |
| NLM Env. Mutagen Info. Center : | 133447-37-7 |
| NLM GENetic TOXicology : | 133447-37-7 |
| EPI System : | view |
other :
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references :
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| jecfa number : | 1605 |
| fl. number : | 14.168 |
| pubchem : | 11079275 |
| NIST Chemistry WebBook : | 935952656 |