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| IUPAC name : | 1-pyrazin-2-ylethanone |
| InChI : | InChI=1/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3 |
| InChIKey : | DBZAKQWXICEWNW-UHFFFAOYAU |
| SMILES : | CC(=O)C1=NC=CN=C1 |
| (EINECS) number : | 244-753-5 |
| cas number : | 22047-25-2 |
| fema number : | 3126 |
| coe number : | 2286 |
| jecfa number : | 784 |
| fl. number : | 14.032 |
| molar refractivity : | 32.46 ± 0.3 cm3 |
| parachor : | 280.7 ± 4.0 cm3 |
| index of refraction : | 1.516 ± 0.02 |
| surface tension : | 46.6 ± 3.0 dyne/cm |
| density : | 1.136 ± 0.06 g/cm3 |
| polarizability : | 12.86 ± 0.5 10-24cm3 |
| xlogp : | -0.10 |
| molecular weight : | 122.1246400 |
| formula : | C6 H6 N2 O |
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| fda reg : | unspecified |
h. number : | 2933.90.8300 |
| organoleptics : | |
| odor type : | popcorn |
| odor strength : | very high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in propylene glycol. | popcorn nutty corn chip bread crust chocolate hazelnut coffee |
| taste description³ : | at 10.00 ppm. Roasted, nutty, bready and yeasty, with popcorn and corn chip nuances |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | white to pale yellow crystals |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| melting point : | 75.00 - 78.00 °C. @ 760.00 mm Hg
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| logp : | 0.20 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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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. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for 2-acetyl pyrazine usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| recommendation for 2-acetyl pyrazine usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 244-753-5 |
| chemidplus : | 022047252 |
| epa-srs : | 22047-25-2 |
| dtp/nci : | 72374 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 172969 |
| NIST Chemistry WebBook : | 1725064163 |
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| reference : | Mosciano, Gerard P&F 17, No. 1, 41, (1992)³ |