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| IUPAC name : | 1-(3,5-dimethylpyrazin-2-yl)ethanone |
| InChI : | InChI=1/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3 |
| InChIKey : | UCGOSAWBWFUKDT-UHFFFAOYAV |
| SMILES : | CC1=CN=C(C(=N1)C)C(=O)C |
| cas number : | 54300-08-2 |
| (EINECS) number : | 259-076-0 |
| fema number : | 3327 |
| coe number : | 11294 |
| jecfa number : | 786 |
| fl. number : | 14.055 |
| molar refractivity : | 42.11 ± 0.3 cm3 |
| parachor : | 356.0 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 41.8 ± 3.0 dyne/cm |
| density : | 1.073 ± 0.06 g/cm3 |
| polarizability : | 16.69 ± 0.5 10-24cm3 |
| XlogP : | 0.60 |
| XlogP3-AA : | 0.60 |
| molecular weight : | 150.1778000 (IUPAC) |
| formula : | C8 H10 N2 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2933.90 |
| fda reg : | unspecified |
Suppliers :
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| Endeavour : | 2-Acetyl-3,5-dimethylpyrazine
99% |
| Nanjing : | 2-acetyl-3,5-dimethylpyrazine
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| Penta : | 2-acetyl-3,5,6-dimethyl pyrazine
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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 propylene glycol. | roasted hazelnut |
properties :
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| appearence : | yellow semi-solid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03800 to 1.07300 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.637 to 8.928
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| refractive index : | 1.51700 @ 20.00 °C.
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| boiling point : | 70.00 °C. @ 7.00 mm Hg
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| vapor pressure : | 3.00000 mm/Hg @ 20.00 °C. |
| flash point : | 195.00 °F. TCC ( 90.56 °C. )
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| logP (o/w) : | 1.08 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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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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) : | 0.97 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 1.00 (μg/capita/day) |
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| recommendation for 2-acetyl-3,5-dimethyl pyrazine usage levels up to : |
| | 0.1000 % in the fragrance concentrate.
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| recommendation for 2-acetyl-3,5-dimethyl pyrazine usage levels up to : |
| | 5.0000 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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| | 1-(3,5-dimethylpyrazin-2-yl)ethanone
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| (EINECS) number : | 259-076-0 |
| chemidplus : | 054300082 |
| EPA Substance Registry Services : | 54300-08-2 |
references :
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| | 1-(3,5-dimethylpyrazin-2-yl)ethanone
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| fl. number : | 14.055 |
| jecfa number : | 786 |
| NIST Chemistry WebBook : | 1299009158 |
| pubchem : | 682129 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |