Introduction：Basic information about 2-Isobutylthiazole CAS 18640-74-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Isobutylthiazole Basic information
| Product Name: | 2-Isobutylthiazole |
| Synonyms: | THIAZOLE, 2-ISOBUTYL;''TOMATO LEAF'' THIAZOLE;2-(2-methylpropyl)-thiazol;Thiazole, 2-(2-methylpropyl)-;FEMA NUMBER 3134;FEMA 3134;2-(2-Methylpropyl)-thiazole;2-ISOBUTYL-1,3-THIAZOLE |
| CAS: | 18640-74-9 |
| MF: | C7H11NS |
| MW: | 141.23 |
| EINECS: | 242-470-1 |
| Product Categories: | Alphabetical Listings;Flavors and Fragrances;I-L;Building Blocks;Heterocyclic Building Blocks;Thiazoles;Heterocyclic Compounds;thiazole Flavor;Intermediates of Dyes and Pigments |
| Mol File: | 18640-74-9.mol |
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2-Isobutylthiazole Chemical Properties
| Boiling point | 180 °C (lit.) |
| density | 0.995 g/mL at 25 °C (lit.) |
| FEMA | 3134 | 2-ISOBUTYLTHIAZOLE |
| refractive index | n20/D 1.495(lit.) |
| Fp | 136 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| pka | 3.24±0.10(Predicted) |
| form | clear liquid |
| color | Light orange to Yellow to Green |
| Specific Gravity | 0.995 |
| Odor | tomato (leaf) odor |
| Odor Type | green |
| biological source | synthetic |
| JECFA Number | 1034 |
| BRN | 507823 |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3 |
| InChIKey | CMPVUVUNJQERIT-UHFFFAOYSA-N |
| SMILES | CC(C)Cc1nccs1 |
| LogP | 2.51 |
| CAS DataBase Reference | 18640-74-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Isobutylthiazole(18640-74-9) |
| EPA Substance Registry System | Thiazole, 2-(2-methylpropyl)- (18640-74-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39 |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| RTECS | XJ5103412 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29341000 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
2-Isobutylthiazole Usage And Synthesis
| Description | 2-Isobutylthiazole has an odor of tomato leaves. Synthesized viacyclization of aliphatic amides with a,p-dibromo ether. |
| Chemical Properties | 2-Isobutylthiazole has a tomato leaf odor. |
| Chemical Properties | Colorless to light yellow liqui |
| Occurrence | Reportedly identified as the odorous component of tomatoes and in processed tomatoes. |
| Preparation | By cyclization of aliphatic amides with α,β-dibromo ether. |
| Definition | ChEBI: A 1,3-thiazole in which the hydrogen at position 2 has been replaced by an isobutyl group. A food flavour component with a green note that adds the characteristics of ripe tomatoes. Used in blackcurrent, papaya, melon, raspberry, and roast beef flavours, i also enhances the flavour of fresh lime. |
| Aroma threshold values | Detection: 3.5 ppb |
2-Isobutylthiazole Preparation Products And Raw materials
| Raw materials | Chloroacetaldehyde |
