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| IUPAC name : | 2-ethyl-4-methyl-1,3-thiazole |
| InChI : | InChI=1/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3 |
| InChIKey : | VGRVKVGGUPOCMT-UHFFFAOYAL |
| SMILES : | CCC1=NC(=CS1)C |
| cas number : | 15679-12-6 |
| (EINECS) number : | 239-757-9 |
| fema number : | 3680 |
| coe number : | 11612 |
| jecfa number : | 1044 |
| fl. number : | 15.033 |
| molar refractivity : | 37.10 ± 0.3 cm3 |
| parachor : | 298.8 ± 4.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 36.9 ± 3.0 dyne/cm |
| density : | 1.049 ± 0.06 g/cm3 |
| polarizability : | 14.70 ± 0.5 10-24cm3 |
| XlogP : | 1.30 |
| molecular weight : | 127.2073600 |
| formula : | C6 H9 N S |
| NMR Predictor : | Predict |
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| export tariff code : | 2934.10.0000 |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | 2-ethyl-4-methyl thiazole
98% min. natural Odor: Nutty |
| Advanced Biotech : | 2-ethyl-4-methyl thiazole
4% min. (in triethyl citrate) natural Odor: Nutty |
| Bedoukian Research : | 2-ETHYL-4-METHYL THIAZOLE
≥98.0%, Kosher Odor: A nutty, green pistachio aroma. |
| Endeavour : | 2-Ethyl-4-methylthiazole
98% |
| Fleurchem : | 2-ethyl-4-methyl thiazole
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| Fontarome : | 2-ETHYL-4-METHYLTHIAZOLE
Odor: Nutty, green |
| Frutarom : | 2-ETHYL-4-METHYLTHIAZOLE
≥98.00%, NI, Kosher Odor: Green, Nutty |
| Moellhausen : | 2-ethyl-4-methyl thiazole
95% min. nature identical kosher |
| Penta : | 2-ethyl-4-methyl thiazole
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| Sigma-Aldrich-SAFC : | 2-Ethyl-4-methylthiazole
≥98%, Kosher, FG Odor: green; nutty |
| Treatt : | 2-Ethyl-4-methyl thiazole
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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 dipropylene glycol. | nutty green pistachio |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.02100 to 1.03100 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.496 to 8.579
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| refractive index : | 1.50100 to 1.51100 @ 20.00 °C.
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| boiling point : | 161.00 to 162.00 °C. @ 760.00 mm Hg
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| boiling point : | 56.00 °C. @ 20.00 mm Hg
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| vapor density : | 4.3 ( Air = 1 ) |
| flash point : | 140.00 °F. TCC ( 60.00 °C. )
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| logP (o/w) : | 2.09 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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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Oral-Rat [sex: M,F] 540.00 mg/kg (Moreno et al., 1981b)
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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) : | 3.20 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 1.00 (μg/capita/day) |
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| recommendation for 2-ethyl-4-methyl thiazole usage levels up to : |
| | not for fragrance use.
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| recommendation for 2-ethyl-4-methyl thiazole usage levels up to : |
| | 1.0000 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 |
| WISER : | UN 1993 |
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| WGK Germany : | 3 |
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| | 2-ethyl-4-methyl-1,3-thiazole
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| (EINECS) number : | 239-757-9 |
| chemidplus : | 015679126 |
| EPA Substance Registry Services : | 15679-12-6 |
references :
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| | 2-ethyl-4-methyl-1,3-thiazole
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| fl. number : | 15.033 |
| jecfa number : | 1044 |
| NIST Chemistry WebBook : | 332407923 |
| pubchem : | 170032 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |