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| IUPAC name : | 1-(1H-pyrrol-2-yl)propan-1-one |
| InChI : | InChI=1/C7H9NO/c1-2-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3 |
| InChIKey : | AEJPPSRYXGEVDT-UHFFFAOYAV |
| SMILES : | CCC(=O)C1=CC=CN1 |
| (EINECS) number : | 214-026-7 |
| cas number : | 1073-26-3 |
| beilstein number : | 0108936 |
| fema number : | 3614 |
| coe number : | 11942 |
| jecfa number : | 1319 |
| fl. number : | 14.068 |
| molar refractivity : | 35.34 ± 0.3 cm3 |
| parachor : | 291.8 ± 4.0 cm3 |
| index of refraction : | 1.522 ± 0.02 |
| surface tension : | 40.3 ± 3.0 dyne/cm |
| density : | 1.063 ± 0.06 g/cm3 |
| polarizability : | 14.01 ± 0.5 10-24cm3 |
| xlogp : | 0.90 |
| molecular weight : | 123.1524600 |
| formula : | C7 H9 N O |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | popcorn |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | roast popcorn |
| properties : | |
| appearence : | white crystals |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 43.00 - 45.00 °C. @ 760.00 mm Hg
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| boiling point : | 230.00 - 232.00 °C. @ 760.00 mm Hg
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| logp : | 1.41 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Mouse 1620.00 mg/kg
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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 2-propionyl pyrrole usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 214-026-7 |
| chemidplus : | 001073263 |
| epa-srs : | 1073-26-3 |
| dtp/nci : | 81353) |
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| other : | |
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| references : | |
| jecfa number : | 1319 |
| fl. number : | 14.068 |
| pubchem : | 197525 |
| NIST Chemistry WebBook : | 3746857581 |
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