4-(甲硫基)-4-甲基-2-戊酮(CAS 23550-40-5):分子式 C7H14OS、分子量 146.25。
| CAS号 | 23550-40-5 |
|---|---|
| 分子式 | C7H14OS |
| 分子量 | 146.25 |
| 沸点 | 78.00 °C. @ 15.00 mm Hg |
| LogP | 1.1 |
4-(甲硫基)-4-甲基-2-戊酮 是一种化工化合物,登记 CAS 号为 23550-40-5,分子式 C7H14OS(分子量 146.25)。
登记 CAS 号:23550-40-5
其分子式 C7H14OS 由 7 个碳、14 个氢、1 个氧、1 个硫 组成。
别名/同义词:4-(甲硫基)-4-甲基-2-戊酮 · 4-(Methylthio)-4-methyl-2-pentanone · 4-Methyl-4-(methylthio)pentan-2-one
4-(甲硫基)-4-甲基-2-戊酮 的 CAS 登记号为 23550-40-5。
分子式 C7H14OS,分子量 146.25。
别名/同义词:4-(甲硫基)-4-甲基-2-戊酮、4-(Methylthio)-4-methyl-2-pentanone、4-Methyl-4-(methylthio)pentan-2-one。
4-(甲硫基)-4-甲基-2-戊酮(CAS 23550-40-5)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 23550-40-5 |
|---|---|
| PubChem CID | 4682590 |
| Molecular formula | C7H14OS |
| IUPAC name | 4-methyl-4-methylsulfanylpentan-2-one |
| UNII (FDA) | G69HK72Q3Y |
| FEMA number | 3376 |
| JECFA number | 500 |
| Molecular Weight | 146.25 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 146.07653624 |
| Monoisotopic Mass | 146.07653624 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 9 |
| Boiling Point | 78.00 °C. @ 15.00 mm Hg |
|---|---|
| Boiling Point | 84 °C (12 mm Hg); 78 °C (15 mm Hg) |
| Density | 0.964 |
| Refractive Index | 1.475-1.485 |
23550-40-5; 4-Methylthio-4-methyl-2-pentanone; 2-Pentanone, 4-methyl-4-(methylthio)-; 4-Methyl-4-(methylthio)-2-pentanone; 4-Methyl-4-(methylthio)pentan-2-one; cassis pentanone; FEMA No. 3376; 4-(Methylthio)-4-methyl-2-pentanone; 4-methyl-4-(methylsulfanyl)pentan-2-one; EINECS 245-727-6; G69HK72Q3Y; 4-Methylmercapto-4-methylpentan-2-one; DTXSID0066905; 4-METHYLTHIO-4-METHYL-2-PENTANONE [FHFI]; RefChem:525292; DTXCID5036894
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 90.2% (110 / 122) |
| GHS notification summary | 90.2% (110 / 122) |
|---|
This chemical does not meet GHS hazard criteria for 90.2% (110 of 122) of all reports.
Reported as not meeting GHS hazard criteria by 110 of 122 companies (only 9.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
4-Methyl-4-(methylthio)pentan-2-one · CAS 23550-40-5 · C7H14OS. UNII G69HK72Q3Y. Boiling Point: 78.00 °C. @ 15.00 mm Hg; Boiling Point: 84 °C (12 mm Hg); 78 °C (15 mm Hg); Density: 0.964.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 4-(Methylthio)-4-methyl-2-pentanone