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| IUPAC name : | 7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine |
| InChI : | InChI=1/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3 |
| InChIKey : | YZEFQPIMXZVPKP-UHFFFAOYAZ |
| SMILES : | CC1CCC2=NC=CN=C12 |
| cas number : | 23747-48-0 |
| (EINECS) number : | 245-864-1 |
| fema number : | 3306 |
| coe number : | 2314 |
| jecfa number : | 781 |
| fl. number : | 14.037 |
| molar refractivity : | 39.31 ± 0.3 cm3 |
| parachor : | 321.1 ± 4.0 cm3 |
| index of refraction : | 1.541 ± 0.02 |
| surface tension : | 43.6 ± 3.0 dyne/cm |
| density : | 1.073 ± 0.06 g/cm3 |
| polarizability : | 15.58 ± 0.5 10-24cm3 |
| XlogP : | 0.70 |
| molecular weight : | 134.1784000 (IUPAC) |
| formula : | C8 H10 N2 |
| NMR Predictor : | Predict |
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| IUPAC name : | (7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine |
| InChI : | InChI=1/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3/t6-/m1/s1 |
| InChIKey : | YZEFQPIMXZVPKP-ZCFIWIBFBY |
| SMILES : | C[C@@H]1CCC2=NC=CN=C12 |
| cas number : | 23747-48-0 (R) |
| molar refractivity : | 39.31 ± 0.3 cm3 |
| parachor : | 321.1 ± 4.0 cm3 |
| index of refraction : | 1.541 ± 0.02 |
| surface tension : | 43.6 ± 3.0 dyne/cm |
| density : | 1.073 ± 0.06 g/cm3 |
| polarizability : | 15.58 ± 0.5 10-24cm3 |
| XlogP : | 0.70 |
| molecular weight : | 134.1784000 (IUPAC) |
| formula : | C8 H10 N2 |
| NMR Predictor : | Predict |
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| IUPAC name : | (7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine |
| InChI : | InChI=1/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3/t6-/m0/s1 |
| InChIKey : | YZEFQPIMXZVPKP-LURJTMIEBW |
| SMILES : | C[C@H]1CCC2=NC=CN=C12 |
| cas number : | 23747-48-0 (S) |
| molar refractivity : | 39.31 ± 0.3 cm3 |
| parachor : | 321.1 ± 4.0 cm3 |
| index of refraction : | 1.541 ± 0.02 |
| surface tension : | 43.6 ± 3.0 dyne/cm |
| density : | 1.073 ± 0.06 g/cm3 |
| polarizability : | 15.58 ± 0.5 10-24cm3 |
| XlogP : | 0.70 |
| molecular weight : | 134.1784000 (IUPAC) |
| formula : | C8 H10 N2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | 5H-5METHYL6,7DIHYDROCYCLOPENTA B PYRAZINE
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| Endeavour : | 5-Methyl-6,7-dihydrocyclopentapyrazine
98% |
| Frutarom : | METHYL DIHYDROCYCLOPENTAPYRAZINE
≥98.00%, NI, Kosher Odor: Nutty, Sweet Suggested Uses: Chocolate, Cocoa, Coffee, Nut |
| Givaudan : | Corylone pyrazine
≥98%, NI, Kosher Odor: Nutty,Baked Potato This powerful chemical gives body to roast-type flavours but without the sharpness of most other pyrazines. |
| Penta : | 5H-5-methyl-6,7-dihydrocyclopenta(b)pyrazine
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| SAFC Global® : | 5H-5-Methyl-6,7-dihydrocyclopenta[b]pyrazine
≥97%, Kosher, FG Odor: earthy; peanut |
| Treatt : | 5-Methyl-6,7-dihydrocyclopentapyrazine
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organoleptics :
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| odor type : | earthy |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description: at 0.10 % in dipropylene glycol. | earthy baked potato peanut roasted |
odor description: at 1.00 %. | Sweet, nutty, roasted, toasted, grainy, coffee and corn with savory, meaty nuances Mosciano, Gerard P&F 23, No. 2, 43, (1998) |
taste description: at 15.00 ppm. | Musty, nutty, roasted and grainy with coffee notes Mosciano, Gerard P&F 23, No. 2, 43, (1998) |
properties :
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| appearence : | pale yellow to yellowish orange clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.04300 to 1.05600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.679 to 8.787
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| refractive index : | 1.52500 to 1.53300 @ 20.00 °C.
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| melting point : | 121.00 to 123.00 °C. @ 1.00 mm Hg
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| boiling point : | 96.00 to 99.00 °C. @ 20.00 mm Hg
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| boiling point : | 200.00 to 201.00 °C. @ 760.00 mm Hg
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| vapor density : | 4.6 ( Air = 1 ) |
| flash point : | 174.00 °F. TCC ( 78.89 °C. )
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| logP (o/w) : | 1.33 |
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 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 37/39 - Wear suitable 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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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 3.90 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 4.00 (μg/capita/day) |
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| recommendation for nutty pyrazine fragrance usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| recommendation for nutty pyrazine flavor 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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| | 7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine |
| (EINECS) number : | 245-864-1 |
| chemidplus : | 023747480 |
| EPA Substance Registry Services : | 23747-48-0 |
| | (7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine |
| | (7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine |
references :
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| | 7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine |
| fl. number : | 14.037 |
| jecfa number : | 781 |
| NIST Chemistry WebBook : | 2118912078 |
| pubchem : | 174079 |
| Flavornet : | 23747-48-0 |
| | (7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine |
| pubchem : | 43541120 |
| | (7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine |
| pubchem : | 43541119 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |