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| IUPAC name : | 1,3-thiazole |
| InChI : | InChI=1/C3H3NS/c1-2-5-3-4-1/h1-3H |
| InChIKey : | FZWLAAWBMGSTSO-UHFFFAOYAI |
| SMILES : | C1=CSC=N1 |
| cas number : | 288-47-1 |
| (EINECS) number : | 206-021-3 |
| beilstein number : | 0103852 |
| fema number : | 3615 |
| coe number : | 11642 |
| jecfa number : | 1032 |
| fl. number : | 15.028 |
| molar refractivity : | 22.72 ± 0.3 cm3 |
| parachor : | 184.5 ± 4.0 cm3 |
| index of refraction : | 1.542 ± 0.02 |
| surface tension : | 42.8 ± 3.0 dyne/cm |
| density : | 1.180 ± 0.06 g/cm3 |
| polarizability : | 9.01 ± 0.5 10-24cm3 |
| XlogP : | 0.60 |
| molecular weight : | 85.1276200 |
| formula : | C3 H3 N S |
| NMR Predictor : | Predict |
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| export tariff code : | 2934.10.0000 |
| fda reg : | unspecified |
Suppliers :
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| Fleurchem : | thiazole
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| Penta : | thiazole
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| Sigma-Aldrich-SAFC : | Thiazole
≥99%, Kosher, FG Odor: nutty |
organoleptics :
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| odor type : | fishy |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in propylene glycol. | pyridine nutty meaty |
properties :
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| appearence : | colorless to yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.19800 to 1.20200 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.969 to 10.002
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| refractive index : | 1.53100 to 1.54100 @ 20.00 °C.
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| boiling point : | 116.00 to 118.00 °C. @ 760.00 mm Hg
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| flash point : | 72.00 °F. TCC ( 22.22 °C. )
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| logP (o/w) : | 0.44 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 10 - Flammable. R 22 - Harmful if swallowed. R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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-Mouse 983.00 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.07 (μg/capita/day) |
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| recommendation for thiazole usage levels up to : |
| | not for fragrance use.
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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 |
| Chemical Carcinogenesis Research Information System : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1993 |
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| WGK Germany : | 3 |
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| | 1,3-thiazole
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| (EINECS) number : | 206-021-3 |
| RTECS : | XJ1290000 for 288-47-1 |
| chemidplus : | 000288471 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 288-47-1 |
references :
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| | 1,3-thiazole
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| fl. number : | 15.028 |
| jecfa number : | 1032 |
| NIST Chemistry WebBook : | 4065304336 |
| pubchem : | 152448 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |