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| IUPAC name : | 2-[(furan-2-ylmethyl)sulfanyl]-5-methylpyrazine |
| InChI : | InChI=1/C10H10N2OS/c1-8-5-12-10(6-11-8)14-7-9-3-2-4-13-9/h2-6H,7H2,1H3 |
| InChIKey : | ZOIHGSRXHYKLEP-UHFFFAOYAY |
| SMILES : | Cc1ncc(nc1)SCc2ccco2 |
| cas number : | 65530-53-2 |
| fema number : | 3189 |
| coe number : | 2287 |
| jecfa number : | 1082 |
| fl. number : | 13.151 |
| molar refractivity : | 56.80 ± 0.4 cm3 |
| parachor : | 454.5 ± 6.0 cm3 |
| index of refraction : | 1.605 ± 0.03 |
| surface tension : | 57.6 ± 5.0 dyne/cm |
| density : | 1.25 ± 0.1 g/cm3 |
| polarizability : | 22.52 ± 0.5 10-24cm3 |
| xlogp : | 1.30 |
| molecular weight : | 206.2642000 |
| formula : | C10 H10 N2 O S |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Fleurchem : | 2-methyl (3-furfuryl-thio) pyrazine
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| Oxford Chemicals Ltd : | 2-METHYL-3(5/6)(FURFURYLTHIO)
≥98.00% (sum of isomers), Kosher |
organoleptics :
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| odor type : | coffee |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | roasted coffee cooked meat |
properties :
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.20700 to 1.21700 @ 20.00 °C.
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| pounds per gallon - calc. : | 10.055 to 10.138
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| refractive index : | 1.59500 to 1.60500 @ 20.00 °C.
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| boiling point : | 153.00 to 156.00 °C. @ 10.00 mm Hg
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| logp : | 1.97 |
safety :
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| most important hazard(s) : |
Xn - Harmful. |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 134.00 °F. TCC ( 56.67 °C. )
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| recommendation for 2-methyl-3-,5 or 6-(furfuryl thio) pyrazine usage levels up to : |
| | not for fragrance use.
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| recommendation for 2-methyl-3-,5 or 6-(furfuryl thio) pyrazine usage levels up to : |
| | 1.0000 ppm in the flavor.
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safety links :
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| chemidplus : | 65530-53-2 |
| EPA Substance Registry Services : | 65530-53-2 |
| NLM Chemical Carcinogenesis Research Information System : | 65530-53-2 |
| NLM Developmental and Reproductive Toxicity : | 65530-53-2 |
| NLM Env. Mutagen Info. Center : | 65530-53-2 |
| NLM GENetic TOXicology : | 65530-53-2 |
| EPI System : | view |
other :
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references :
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| jecfa number : | 1082 |
| fl. number : | 13.151 |
| pubchem : | 65530-53-2 |