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| IUPAC Name - | 2-(cyclohexylmethyl)pyrazine |
| InChI - | InChI=1/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2 |
| InChIKey - | DGJZDAIWCSVZBI-UHFFFAOYAM |
| SMILES - | C1CCC(CC1)CC2=NC=CN=C2 |
| CAS Number : | 28217-92-7 |
| (EINECS) Number : | 248-905-1 |
| FEMA Number : | 3631 |
| Molar Refractivity : | 53.01 ± 0.3 cm3 (est) |
| Parachor : | 439.6 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.531 ± 0.02 (est) |
| Surface Tension : | 43.4 ± 3.0 dyne/cm (est) |
| Density : | 1.029 ± 0.06 g/cm3 (est) |
| Polarizability : | 21.01 ± 0.5 10-24cm3 (est) |
| XlogP : | 3.00 (est) |
| Molecular Weight : | 176.2581400 (IUPAC) (PT) (112) |
| Formula : | C11 H16 N2 |
| NMR Predictor : | Predict |
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| Category : | flavoring agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | (Cyclohexylmethyl)pyrazine.
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| Fl@vouring Number : | 14.069
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| FDA Mainterm : | CYCLOHEXYLMETHYL PYRAZINE. |
Organoleptics :
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| Odor Type : | nutty |
| Odor Strength : | high , recommend smelling in a 0.10 % solution or less |
Odor Description: at 0.10 % in dipropylene glycol. | green musty nutty |
Properties :
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| Appearence : | pale yellow to amber clear liquid |
| Assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| Specific Gravity : | 1.00300 to 1.00900 @ 25.00 °C.
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| Pounds per Gallon - est. : | 8.346 to 8.396
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| Refractive Index : | 1.51500 to 1.52000 @ 20.00 °C.
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| Boiling Point : | 100.00 °C. @ 4.00 mm Hg
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| Flash Ppoint : | 216.00 °F. TCC ( 102.22 °C. )
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| logP (o/w) : | 2.77 |
Safety :
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| Oral Toxicity(LD50) : | |
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Gavage-Mouse [sex: M,F] 2673.00 mg/kg (Babish, 1978a)
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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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| Category : | flavoring agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.01 (μg/capita/day) |
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| Recommendation for cyclohexyl methyl pyrazine fragrance usage levels up to : |
| | not for fragrance use.
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Safety References :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | 2-(cyclohexylmethyl)pyrazine |
| (EINECS) Number : | 248-905-1 |
| Chemidplus : | 028217927 |
| EPA Substance Registry Services : | 28217-92-7 |
References :
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| | 2-(cyclohexylmethyl)pyrazine |
| Pubchem : | 204957 |
Other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |