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| IUPAC name : | 2-butan-2-yl-3-methoxypyrazine |
| InChI : | InChI=1/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3 |
| InChIKey : | QMQDJVIJVPEQHE-UHFFFAOYAC |
| SMILES : | CCC(C)C1=NC=CN=C1OC |
| cas number : | 24168-70-5 |
| (EINECS) number : | 246-050-9 |
| fema number : | 3433 |
| coe number : | 11300 |
| jecfa number : | 791 |
| fl. number : | 14.062 |
| molar refractivity : | 47.93 ± 0.3 cm3 |
| parachor : | 407.0 ± 4.0 cm3 |
| index of refraction : | 1.487 ± 0.02 |
| surface tension : | 35.7 ± 3.0 dyne/cm |
| density : | 0.998 ± 0.06 g/cm3 |
| polarizability : | 19.00 ± 0.5 10-24cm3 |
| XlogP : | 2.10 |
| XlogP3-AA : | 1.60 |
| molecular weight : | 166.2202600 (IUPAC) |
| formula : | C9 H14 N2 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2933.90 |
| fda reg : | unspecified |
Suppliers :
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| Fleurchem : | 2-methoxy-3-sec-butyl pyrazine
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| Fontarome : | 2-METHOXY 3 SECBUTYL PYRAZINE
Odor: Clay, vegetable odor |
| Frutarom : | 2-SECBUTYL-3(5/6)-METHOXYPYRAZINE
≥99.00% (sum of isomers), NI, Kosher Odor: Galbanum, Green, Musty, Pepper |
| Moellhausen : | 2-methoxy-3-secbutyl pyrazine
98% min. nature identical kosher Odor: green, vegetable. Flavor: strong green note, galbanum, potato. |
| Penta : | 2-methoxy-3-(1-methyl propyl) pyrazine
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| Sigma-Aldrich-SAFC : | 2-Methoxy-3-(1-methylpropyl)pyrazine
≥98%, Kosher Odor: green; vegetable; pepper |
| Tokyo Chemical Industry : | 2-sec-Butyl-3-methoxypyrazine
>97.0%(GC) |
organoleptics :
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| odor type : | green |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in dipropylene glycol. | musty green pea galbanum bell pepper |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97600 to 1.00200 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.121 to 8.338
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| refractive index : | 1.47800 to 1.49800 @ 20.00 °C.
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| boiling point : | 50.00 °C. @ 1.00 mm Hg
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| boiling point : | 218.00 to 219.00 °C. @ 760.00 mm Hg
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| vapor density : | 5.7 ( Air = 1 ) |
| flash point : | 171.00 °F. TCC ( 77.22 °C. )
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| logP (o/w) : | 2.62 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Gavage-Mouse 2000.00 mg/kg (Quest International, 1983b)
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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) : | 0.85 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.10 (μg/capita/day) |
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| recommendation for 2-sec-butyl-3-methoxypyrazine usage levels up to : |
| | 0.1000 % in the fragrance concentrate.
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| recommendation for 2-sec-butyl-3-methoxypyrazine usage levels up to : |
| | 20.0000 ppm in the flavor.
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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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| WGK Germany : | 3 |
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| | 2-butan-2-yl-3-methoxypyrazine
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| (EINECS) number : | 246-050-9 |
| chemidplus : | 024168705 |
| EPA Substance Registry Services : | 24168-70-5 |
references :
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| | 2-butan-2-yl-3-methoxypyrazine
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| fl. number : | 14.062 |
| jecfa number : | 791 |
| NIST Chemistry WebBook : | 1864448290 |
| pubchem : | 204746 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |