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| IUPAC name : | 2-methyl-5-propan-2-ylpyrazine |
| InChI : | InChI=1/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3 |
| InChIKey : | PGTQKVQDZHXLOP-UHFFFAOYAM |
| SMILES : | CC1=CN=C(C=N1)C(C)C |
| cas number : | 13925-05-8 |
| fema number : | 3554 |
| coe number : | 2268 |
| jecfa number : | 772 |
| fl. number : | 14.026 |
| molar refractivity : | 41.44 ± 0.3 cm3 |
| parachor : | 348.2 ± 4.0 cm3 |
| index of refraction : | 1.494 ± 0.02 |
| surface tension : | 35.9 ± 3.0 dyne/cm |
| density : | 0.957 ± 0.06 g/cm3 |
| polarizability : | 16.43 ± 0.5 10-24cm3 |
| XlogP : | 1.20 |
| molecular weight : | 136.1942800 |
| formula : | C8 H12 N2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | roasted |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in dipropylene glycol. | green coffee nutty earthy |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97700 to 0.98400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.130 to 8.188
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| refractive index : | 1.49200 to 1.49800 @ 20.00 °C.
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| boiling point : | 190.00 °C. @ 760.00 mm Hg
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| flash point : | 159.00 °F. TCC ( 70.56 °C. )
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| logP (o/w) : | 1.52 |
safety :
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| Oral Toxicity(LD50) : |
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Not determined
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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.40 (μg/capita/day) |
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| recommendation for 2-methyl-5-isopropyl pyrazine 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 |
| EPA Chem. Sub. Inventory : | Yes |
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| | 2-methyl-5-propan-2-ylpyrazine
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| chemidplus : | 013925058 |
| EPA Substance Registry Services : | 13925-05-8 |
references :
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| | 2-methyl-5-propan-2-ylpyrazine
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| fl. number : | 14.026 |
| jecfa number : | 772 |
| NIST Chemistry WebBook : | 2251828007 |
| pubchem : | 198086 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |