4-(甲硫基)丁醇(CAS 20582-85-8):分子式 C5H12OS、分子量 120.22。
| CAS号 | 20582-85-8 |
|---|---|
| 分子式 | C5H12OS |
| 分子量 | 120.22 |
| 沸点 | 95.00 to 98.00 °C. @ 20.00 mm Hg |
| LogP | 0.9 |
4-(甲硫基)丁醇 是一种化工化合物,登记 CAS 号为 20582-85-8,分子式 C5H12OS(分子量 120.22)。
登记 CAS 号:20582-85-8
其分子式 C5H12OS 由 5 个碳、12 个氢、1 个氧、1 个硫 组成。
别名/同义词:4-(甲硫基)丁醇 · 4-(Methylthio)butanol
4-(甲硫基)丁醇 的 CAS 登记号为 20582-85-8。
分子式 C5H12OS,分子量 120.22。
别名/同义词:4-(甲硫基)丁醇、4-(Methylthio)butanol。
4-(甲硫基)丁醇(CAS 20582-85-8)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 20582-85-8 |
|---|---|
| PubChem CID | 519793 |
| Molecular formula | C5H12OS |
| IUPAC name | 4-methylsulfanylbutan-1-ol |
| UNII (FDA) | YL87URY6PC |
| FEMA number | 3600 |
| JECFA number | 462 |
| Molecular Weight | 120.22 |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 120.06088618 |
| Monoisotopic Mass | 120.06088618 |
| Topological Polar Surface Area | 45.5 |
| Heavy Atom Count | 7 |
| Boiling Point | 95.00 to 98.00 °C. @ 20.00 mm Hg |
|---|---|
| Boiling Point | 62-67 °C (0.35-0.40 mm Hg) |
| Density | 0.990-0.997 |
| Refractive Index | 1.488-1.498 |
4-(Methylthio)butanol; 4-(Methylthio)-1-butanol; 20582-85-8; 4-methylsulfanylbutan-1-ol; 4-(methylsulfanyl)butan-1-ol; 4-(methylthio)butan-1-ol; 1-Butanol, 4-(methylthio)-; FEMA No. 3600; YL87URY6PC; DTXSID60174594; RefChem:516402; DTXCID0097085; 606-585-4; 927-354-7; 4-methylthiobutan-1-ol; 4-(Methylsulfanyl)-1-butanol
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.9% (1 / 115) |
| GHS notification summary | 0.9% (1 / 115) |
|---|---|
| Reported hazard statements | H302 (99.1%), H312 (99.1%), H332 (99.1%) |
This chemical does not meet GHS hazard criteria for 0.9% (1 of 115) of reports.
H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
4-(Methylthio)butanol · CAS 20582-85-8 · C5H12OS. UNII YL87URY6PC. Boiling Point: 95.00 to 98.00 °C. @ 20.00 mm Hg; Boiling Point: 62-67 °C (0.35-0.40 mm Hg); Density: 0.990-0.997.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 4-(Methylthio)butanol