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| IUPAC name : | 5-ethenyl-2,4-dimethyl-1,3-thiazole |
| InChI : | InChI=1/C7H9NS/c1-4-7-5(2)8-6(3)9-7/h4H,1H2,2-3H3 |
| InChIKey : | MLBCDQHOBLVBQD-UHFFFAOYAE |
| SMILES : | CC1=C(SC(=N1)C)C=C |
| cas number : | 65505-18-2 |
| fema number : | 3145 |
| coe number : | 2237 |
| jecfa number : | 1039 |
| fl. number : | 15.005 |
| molar refractivity : | 43.30 ± 0.3 cm3 |
| parachor : | 324.8 ± 4.0 cm3 |
| index of refraction : | 1.577 ± 0.02 |
| surface tension : | 38.2 ± 3.0 dyne/cm |
| density : | 1.065 ± 0.06 g/cm3 |
| polarizability : | 17.16 ± 0.5 10-24cm3 |
| XlogP : | 1.10 |
| molecular weight : | 139.2180600 (IUPAC) |
| formula : | C7 H9 N S |
| NMR Predictor : | Predict |
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| export tariff code : | 2934.10.0000 |
| fda reg : | unspecified |
Suppliers :
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| Need This Molecule?: | You can contact the Chemical Sources Association and ask the Sourceress. |
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 cocoa |
taste description:
| nut |
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 : | 1.05000 to 1.05600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.737 to 8.787
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| refractive index : | 1.56000 to 1.56500 @ 20.00 °C.
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| boiling point : | 183.00 to 184.00 °C. @ 760.00 mm Hg
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| flash point : | 167.00 °F. TCC ( 75.00 °C. )
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| logP (o/w) : | 2.04 |
safety :
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| Oral Toxicity(LD50) : | |
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Oral-Mouse [sex: M,F] 400-800 mg/kg (Moran et al., 1980)
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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 : | flavoring agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.007 (μg/capita/day) |
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| recommendation for 2,4-dimethyl-5-vinyl thiazole fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for 2,4-dimethyl-5-vinyl thiazole flavor usage levels up to : |
| | 0.5000 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 |
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| | 5-ethenyl-2,4-dimethyl-1,3-thiazole |
| chemidplus : | 065505182 |
| EPA Substance Registry Services : | 65505-18-2 |
references :
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| | 5-ethenyl-2,4-dimethyl-1,3-thiazole |
| fl. number : | 15.005 |
| jecfa number : | 1039 |
| pubchem : | 198972 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |