4,5-二甲基噻唑（CAS 3581-91-7）：分子式 C5H7NS、分子量 113.18。
| CAS号 | 3581-91-7 |
|---|---|
| 分子式 | C5H7NS |
| 分子量 | 113.18 |
| 熔点 | 83 - 84 °C |
| 沸点 | 157.00 to 159.00 °C. @ 760.00 mm Hg |
| LogP | 1.8 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
4,5-二甲基噻唑 是一种化工化合物，登记 CAS 号为 3581-91-7，分子式 C5H7NS（分子量 113.18）。
登记 CAS 号：3581-91-7
其分子式 C5H7NS 由 5 个碳、7 个氢、1 个氮、1 个硫 组成。
别名/同义词：4,5-二甲基噻唑 · 4,5-Dimethylthiazole
4,5-二甲基噻唑 的 CAS 登记号为 3581-91-7。
分子式 C5H7NS，分子量 113.18。
别名/同义词：4,5-二甲基噻唑、4,5-Dimethylthiazole。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
4,5-二甲基噻唑（CAS 3581-91-7）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 3581-91-7 |
|---|---|
| PubChem CID | 62510 |
| Molecular formula | C5H7NS |
| IUPAC name | 4,5-dimethyl-1,3-thiazole |
| UNII (FDA) | U3RP5I088G |
| FEMA number | 3274 |
| JECFA number | 1035 |
| Molecular Weight | 113.18 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 113.02992040 |
| Monoisotopic Mass | 113.02992040 |
| Topological Polar Surface Area | 41.1 |
| Heavy Atom Count | 7 |
| Boiling Point | 157.00 to 159.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 158 °C (742 mm Hg) |
| Melting Point | 83 - 84 °C |
| Density | 1.067-1.072 |
| Refractive Index | 1.516-1.524 |
4,5-DIMETHYLTHIAZOLE; 3581-91-7; 4,5-Dimethyl-1,3-thiazole; Thiazole, 4,5-dimethyl-; 4,5-dimethyl thiazole; FEMA No. 3274; EINECS 222-703-3; BRN 0105694; U3RP5I088G; DTXSID40189348; 4-27-00-00986 (Beilstein Handbook Reference); 4,5-DIMETHYL THIAZOLE [FHFI]; RefChem:507854; DTXCID70111839; 222-703-3; 4,5-dimethyl-thiazole
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green, Nut, Roast, Roasted No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (98.1%) |
|---|
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
4,5-Dimethylthiazole · CAS 3581-91-7 · C5H7NS. UNII U3RP5I088G. Boiling Point: 157.00 to 159.00 °C. @ 760.00 mm Hg; Boiling Point: 158 °C (742 mm Hg); Melting Point: 83 - 84 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 4,5-Dimethylthiazole