4-butyl-5-methyl thiazole
flavor and fragrance agents
| 2D: |
 |
| 3D: |
|
| CAS Number: |
57246-60-3
|
| ECHA EC Number: |
260-645-0 |
| FDA UNII: |
6SMO0I83KL |
| Category: |
flavor and fragrance agents |
| IUPAC Name: |
4-butyl-5-methyl thiazole |
| InChI : |
InChI=1/C8H13NS/c1-3-4-5-8-7(2)10-6-9-8/h6H,3-5H2,1-2H3 |
| Std.InChI: |
InChI=1S/C8H13NS/c1-3-4-5-8-7(2)10-6-9-8/h6H,3-5H2,1-2H3 |
| InChIKey : |
FOBITDGBIATDTQ-UHFFFAOYAV |
| Std.InChIKey: |
FOBITDGBIATDTQ-UHFFFAOYSA-N |
| SMILES : |
CCCCC1=C(SC=N1)C |
| Molar Refractivity : |
46.36 ± 0.3 cm3 (est) |
| Parachor : |
378.3 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.513 ± 0.02 (est) |
| Surface Tension : |
36.2 ± 3.0 dyne/cm (est) |
| Density : |
1.006 ± 0.06 g/cm3 (est) |
| Polarizability : |
18.38 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 220.00 to 221.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.158000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 200.00 °F. TCC ( 93.30 °C. ) (est) |
| logP (o/w): | 2.713 (est) |
| Soluble in: |
| | alcohol |
| | water, 65.43 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Safety Information:
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
| Not determined |
| Dermal Toxicity: |
| Not determined |
| Inhalation Toxicity: |
| Not determined |
Safety in Use Information:
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| 4- | butyl-5-methyl-1,3-thiazole |
| 4- | butyl-5-methylthiazole |
| | thiazole, 4-butyl-5-methyl- |
