2-Mercapto Methyl Pyrazine (CAS 59021-02-2) — formula C5H6N2S, molecular weight 126.18; category organic chemicals.
2-Mercapto Methyl Pyrazine is a carbon-based organic compound with CAS registry number 59021-02-2 and molecular formula C5H6N2S (molecular weight 126.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 59021-02-2
Its molecular formula C5H6N2S comprises 5 C, 6 H, 2 N, 1 S atoms.
Also known as: 2-Mercapto Methyl Pyrazine · 2-巯基甲基吡嗪
Category: organic chemicals
The CAS registry number of 2-Mercapto Methyl Pyrazine is 59021-02-2.
Molecular formula C5H6N2S, molecular weight 126.18.
It is also registered under: 2-Mercapto Methyl Pyrazine, 2-巯基甲基吡嗪.
Category: Organic Chemicals.
Public-database records for 2-Mercapto Methyl Pyrazine (CAS 59021-02-2), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H317 (97.4%), H318 (97.4%), H335 (100%) |
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H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Savory No safety concern at current levels of intake when used as a flavouring agent TRS 909-JECFA 57/51 |
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| 沸点 | 44.00 to 45.00 °C. @ 0.07 mm Hg |
|---|---|
| 沸点 | 94 °C (10 mm Hg) |
| 密度 | 1.148-1.156 |
| 折射率 | 1.548-1.560 |
| CAS Registry Number | 59021-02-2 |
|---|---|
| PubChem CID | 62145 |
| 分子式 | C5H6N2S |
| IUPAC 名称 | pyrazin-2-ylmethanethiol |
| UNII（FDA） | CUV3XV379F |
| FEMA 编号 | 3299 |
| JECFA 编号 | 794 |
2-Mercaptomethylpyrazine; pyrazin-2-ylmethanethiol; Pyrazinemethanethiol; Pyrazinylmethyl mercaptan; 2-Pyrazinemethanethiol; 2-mercaptomethyl pyrazine; 2-(mercaptomethyl)pyrazine; FEMA No. 3299; Pyrazine, 2-mercaptomethyl-; BRN 0878425; CUV3XV379F; DTXSID3069302; 2-MERCAPTOMETHYL PYRAZINE [FHFI]; RefChem:474042; DTXCID6042525; 59021-02-2
| 分子量 | 126.18 |
|---|---|
| XLogP3 | 0 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 1 |
| 精确质量 | 126.02516937 |
| 单同位素质量 | 126.02516937 |
| 拓扑极性表面积 | 26.8 |
| 重原子数 | 8 |
| 形式电荷 | 0 |
2-Mercapto Methyl Pyrazine · CAS 59021-02-2 · C5H6N2S. UNII CUV3XV379F. 沸点: 44.00 to 45.00 °C. @ 0.07 mm Hg; 沸点: 94 °C (10 mm Hg); 密度: 1.148-1.156.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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