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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| InChI : | InChI=1/2C8H12N2/c1-4-8-7(3)10-6(2)5-9-8;1-4-8-7(3)9-5-6(2)10-8/h2*5H,4H2,1-3H3 |
| InChIKey : | BOFLOMVCGPWPQC-UHFFFAOYAT |
| SMILES : | n1cc(nc(c1C)CC)C.n1cc(nc(c1CC)C)C |
| cas number : | 55031-15-7 |
| fema number : | 3149 |
| coe number : | 727 |
| jecfa number : | 789 |
| fl. number : | 14.100 |
| molecular weight : | 136.1942800 |
| formula : | C8 H12 N2 |
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| fda reg : | unspecified |
h. number : | 2933.90 |
| organoleptics : | |
| odor type : | nutty |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in dipropylene glycol. | burnt almond sugar syrup woody coffee |
| taste description³ : | at 5.00 ppm. Peanut, nut skin, brown, roasted, hazelnut, with coffee and chocolate nuances |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95000 - 0.98000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.905 to 8.155
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| refractive index : | 1.50000 - 1.50300 @ 20.00 °C.
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| melting point : | 64.00 - 66.00 °C. @ 8.00 mm Hg
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| boiling point : | 180.00 - 182.00 °C. @ 760.00 mm Hg
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| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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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. ) : | 157.00 °F. TCC ( 69.44 °C. )
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| recommendation for 3,5(6)-cocoa pyrazine usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for 3,5(6)-cocoa pyrazine usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| chemidplus : | 55031-15-7 |
| epa-srs : | 55031-15-7 |
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| other : | |
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| references : | |
| pubchem : | 40723204 |
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| reference : | Mosciano, Gerard P&F 17, No. 3, 57, (1992)³ |