2-isobutyl-4,5-dimethylthiazole (CAS 53498-32-1) — formula C9H15NS, molecular weight 169.29; category organic chemicals.
| CAS Number | 53498-32-1 |
|---|---|
| Molecular Formula | C9H15NS |
| Molecular Weight | 169.29 |
| Boiling Point | 266-267 °C |
| LogP | 3.4 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Thiazole, 4, 5-dimethyl-2-(2-methylpropyl)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Thiazole, 4, 5-dimethyl-2-(2-methylpropyl)-: ACTIVE.
2-isobutyl-4,5-dimethylthiazole is a carbon-based organic compound with CAS registry number 53498-32-1 and molecular formula C9H15NS (molecular weight 169.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53498-32-1
Its molecular formula C9H15NS comprises 9 C, 15 H, 1 N, 1 S atoms.
Also known as: 2-isobutyl-4,5-dimethylthiazole · 2-异丁基-4,5-二甲基噻唑
Category: organic chemicals
The CAS registry number of 2-isobutyl-4,5-dimethylthiazole is 53498-32-1.
Molecular formula C9H15NS, molecular weight 169.29.
It is also registered under: 2-isobutyl-4,5-dimethylthiazole, 2-异丁基-4,5-二甲基噻唑.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Thiazole, 4, 5-dimethyl-2-(2-methylpropyl)-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-isobutyl-4,5-dimethylthiazole (CAS 53498-32-1), compiled from public chemistry databases.
| CAS Registry Number | 53498-32-1 |
|---|---|
| PubChem CID | 104513 |
| Molecular formula | C9H15NS |
| IUPAC name | 4,5-dimethyl-2-(2-methylpropyl)-1,3-thiazole |
| UNII (FDA) | 5P82VD25ZI |
| FEMA number | 4647 |
| JECFA number | 2109 |
| Molecular Weight | 169.29 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 169.09252066 |
| Monoisotopic Mass | 169.09252066 |
| Topological Polar Surface Area | 41.1 |
| Heavy Atom Count | 11 |
| Boiling Point | 266-267 °C |
|---|---|
| Density | 0.967-0.975 (20 °C) |
| Refractive Index | 1.490-1.498 |
2-Isobutyl-4,5-dimethylthiazole; 53498-32-1; geranium thiazole; 4,5-Dimethyl-2-isobutylthiazole; Thiazole, 4,5-dimethyl-2-(2-methylpropyl)-; 5P82VD25ZI; EINECS 258-586-0; DTXSID6068858; FEMA NO. 4647; RefChem:507833; DTXCID9041447; 2-Isobutyl-4,5-dimethyl thiazole; 258-586-0; 4,5-dimethyl-2-(2-methylpropyl)-1,3-thiazole; 4,5-DIMETHYL-2-ISOBUTYL THIAZOLE; MFCD00053136
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 20.8% (25 / 120) |
| GHS notification summary | 20.8% (25 / 120) |
|---|---|
| Reported hazard statements | H302 (65.8%), H315 (12.5%), H319 (12.5%), H335 (12.5%) |
This chemical does not meet GHS hazard criteria for 20.8% (25 of 120) of reports.
H302 (65.8%): Harmful if swallowed [Warning Acute toxicity, oral]
2-isobutyl-4,5-dimethylthiazole · CAS 53498-32-1 · C9H15NS. UNII 5P82VD25ZI. Boiling Point: 266-267 °C; Density: 0.967-0.975 (20 °C); Refractive Index: 1.490-1.498.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-异丁基-4,5-二甲基噻唑